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MFCD09040760 molecular structure
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2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine

ChemBase ID: 280145
Molecular Formular: C9H13F6NO
Molecular Mass: 265.1960392
Monoisotopic Mass: 265.09013336
SMILES and InChIs

SMILES:
C(C1CC(C(OCC(F)(F)F)CC1)N)(F)(F)F
Canonical SMILES:
NC1CC(CCC1OCC(F)(F)F)C(F)(F)F
InChI:
InChI=1S/C9H13F6NO/c10-8(11,12)4-17-7-2-1-5(3-6(7)16)9(13,14)15/h5-7H,1-4,16H2
InChIKey:
XKHVFYVCXRSAJR-UHFFFAOYSA-N

Cite this record

CBID:280145 http://www.chembase.cn/molecule-280145.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
IUPAC Traditional name
2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
Synonyms
2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexanamine
MDL Number
MFCD09040760
PubChem SID
180665676
PubChem CID
16228798

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87218 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228798 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7464496  LogD (pH = 7.4) -0.013563282 
Log P 2.2614443  Molar Refractivity 47.9023 cm3
Polarizability 18.024754 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.466 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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