[1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine

C15H20F3N — CID 117431183

IUPAC[1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine
SMILESCC(F)c1cc(F)c(F)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C15H20F3N/c1-10(16)11-7-12(14(18)13(17)8-11)15(9-19)5-3-2-4-6-15/h7-8,10H,2-6,9,19H2,1H3
InChIKeyVIRNNBAKTJIDTI-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.16
Rot. Bonds3

About [1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine

[1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine (PubChem CID 117431183) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is [1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine
PubChem CID117431183
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name[1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine
SMILESCC(F)c1cc(F)c(F)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C15H20F3N/c1-10(16)11-7-12(14(18)13(17)8-11)15(9-19)5-3-2-4-6-15/h7-8,10H,2-6,9,19H2,1H3
InChIKeyVIRNNBAKTJIDTI-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117351296
[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine
CID 117369663
[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine
CID 117330241
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
CID 117320311
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol
CID 117391271
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
[1-[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentyl]methanamine
CID 117448091

Frequently Asked Questions

What is the IUPAC name of [1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine (CID 117431183) is [1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine is CC(F)c1cc(F)c(F)c(C2(CN)CCCCC2)c1.
What is the InChIKey of [1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine?
The InChIKey is VIRNNBAKTJIDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10(16)11-7-12(14(18)13(17)8-11)15(9-19)5-3-2-4-6-15/h7-8,10H,2-6,9,19H2,1H3.
What are the key properties of [1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine?
[1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine has a molecular weight of 271.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117431183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).