NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-fluoro-N-[(3-fluorophenyl)methyl]-4-methylaniline
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IUPAC Traditional name
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2-fluoro-N-[(3-fluorophenyl)methyl]-4-methylaniline
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Synonyms
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3-Fluoro-N-(2-fluoro-4-methylphenyl)benzylamine
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2-Fluoro-N-(3-fluorobenzyl)-4-methylaniline
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CAS Number
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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
Acid pKa
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16.971037
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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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3.9682922
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LogD (pH = 7.4)
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3.9693093
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Log P
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3.9693222
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Molar Refractivity
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66.3384 cm3
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Polarizability
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23.978546 Å3
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Polar Surface Area
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12.03 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent