NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R)-1,1,1-trifluoroheptan-2-ol
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IUPAC Traditional name
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(2R)-1,1,1-trifluoroheptan-2-ol
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Synonyms
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(S)-(-)-1,1,1-Trifluoroheptan-2-ol (>98%ee)
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(R)-(+)-1,1,1-Trifluoroheptan-2-ol
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(R)-(+)-1,1,1-三氟庚-2-醇
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CAS Number
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MDL Number
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MFCD06799351
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MFCD03093950
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Log P
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2.7093227
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Molar Refractivity
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36.4572 cm3
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Polarizability
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13.675821 Å3
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Polar Surface Area
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20.23 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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Acid pKa
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11.408001
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H Acceptors
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1
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H Donor
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1
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LogD (pH = 5.5)
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2.709322
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LogD (pH = 7.4)
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2.70928
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent