N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine

C9H14F5N — CID 115406111

IUPACN-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C9H14F5N/c10-8(11)5-15-7-4-2-1-3-6(7)9(12,13)14/h6-8,15H,1-5H2
InChIKeyRBMQYCOHNILAER-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.96
Rot. Bonds3

About N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 115406111) has the molecular formula C9H14F5N and a molecular weight of 231.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID115406111
Molecular FormulaC9H14F5N
Molecular Weight231.21 g/mol
Exact Mass231.10
IUPAC NameN-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C9H14F5N/c10-8(11)5-15-7-4-2-1-3-6(7)9(12,13)14/h6-8,15H,1-5H2
InChIKeyRBMQYCOHNILAER-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine
CID 78958691
N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934178
1-methoxy-3-[[2-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 64758911
2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64756873
2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759490
N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64759304
N-propan-2-yl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758473
N-(3-methylbut-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934180
2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64757047
trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508980
cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 115406111) is N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)CNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RBMQYCOHNILAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5N/c10-8(11)5-15-7-4-2-1-3-6(7)9(12,13)14/h6-8,15H,1-5H2.
What are the key properties of N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 231.21 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 115406111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).