N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine

C10H19F2N — CID 64742405

IUPACN-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC(F)F)C1
InChIInChI=1S/C10H19F2N/c1-2-8-4-3-5-9(6-8)13-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyAHHJFKTWMPZGMV-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.81
Rot. Bonds4

About N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine

N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine (PubChem CID 64742405) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
PubChem CID64742405
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC NameN-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC(F)F)C1
InChIInChI=1S/C10H19F2N/c1-2-8-4-3-5-9(6-8)13-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyAHHJFKTWMPZGMV-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(3-ethylcyclohexyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367326
1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993289
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993258
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876207
4-[(3-ethylcyclohexyl)amino]butan-2-ol
CID 64910708
N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine
CID 64741238
3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039078
trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine
CID 162591470
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186
N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428837
N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine
CID 103699452

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine (CID 64742405) is N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine is CCC1CCCC(NCC(F)F)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine?
The InChIKey is AHHJFKTWMPZGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-2-8-4-3-5-9(6-8)13-7-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine?
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine has a molecular weight of 191.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 64742405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).