[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine

C15H20F3N — CID 117431184

IUPAC[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine
SMILESCC(F)(F)c1ccc(F)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C15H20F3N/c1-14(17,18)11-5-6-13(16)12(9-11)15(10-19)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,19H2,1H3
InChIKeyOAFRSVURFKRCJD-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.10
Rot. Bonds3

About [1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine

[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine (PubChem CID 117431184) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is [1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine
PubChem CID117431184
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine
SMILESCC(F)(F)c1ccc(F)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C15H20F3N/c1-14(17,18)11-5-6-13(16)12(9-11)15(10-19)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,19H2,1H3
InChIKeyOAFRSVURFKRCJD-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine 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

[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine
CID 117456606
[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine
CID 117296578
[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
CID 98033979
[1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine
CID 117492418
[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117393045
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401404
[1-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]cyclopentyl]methanamine
CID 117496246
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086

Frequently Asked Questions

What is the IUPAC name of [1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine (CID 117431184) is [1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine is CC(F)(F)c1ccc(F)c(C2(CN)CCCCC2)c1.
What is the InChIKey of [1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine?
The InChIKey is OAFRSVURFKRCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-14(17,18)11-5-6-13(16)12(9-11)15(10-19)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,19H2,1H3.
What are the key properties of [1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine?
[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine has a molecular weight of 271.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117431184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).