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23566-61-2 molecular structure
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3-(trifluoromethyl)cyclohexan-1-amine

ChemBase ID: 253343
Molecular Formular: C7H12F3N
Molecular Mass: 167.1720896
Monoisotopic Mass: 167.09218405
SMILES and InChIs

SMILES:
C(C1CC(N)CCC1)(F)(F)F
Canonical SMILES:
NC1CCCC(C1)C(F)(F)F
InChI:
InChI=1S/C7H12F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6H,1-4,11H2
InChIKey:
FFCACAFKNHPVNI-UHFFFAOYSA-N

Cite this record

CBID:253343 http://www.chembase.cn/molecule-253343.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(trifluoromethyl)cyclohexan-1-amine
IUPAC Traditional name
3-(trifluoromethyl)cyclohexan-1-amine
Synonyms
3-(trifluoromethyl)cyclohexanamine
CAS Number
23566-61-2
MDL Number
MFCD08444665
PubChem SID
164309253
PubChem CID
16227766

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-26926 external link Add to cart Please log in.
Data Source Data ID
PubChem 16227766 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2896096  LogD (pH = 7.4) -0.9962052 
Log P 1.7381251  Molar Refractivity 36.3395 cm3
Polarizability 13.781017 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.295 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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