[2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine

C13H17F2NS — CID 43529898

IUPAC[2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine
SMILESNCC1CCCCC1Sc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NS/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h5-7,9,12H,1-4,8,16H2
InChIKeyFKMIGXWTQFRLQC-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.57
Rot. Bonds3

About [2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine

[2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine (PubChem CID 43529898) has the molecular formula C13H17F2NS and a molecular weight of 257.35 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine
PubChem CID43529898
Molecular FormulaC13H17F2NS
Molecular Weight257.35 g/mol
Exact Mass257.10
IUPAC Name[2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine
SMILESNCC1CCCCC1Sc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NS/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h5-7,9,12H,1-4,8,16H2
InChIKeyFKMIGXWTQFRLQC-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine?
The IUPAC name of [2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine (CID 43529898) is [2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine is NCC1CCCCC1Sc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine?
The InChIKey is FKMIGXWTQFRLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NS/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h5-7,9,12H,1-4,8,16H2.
What are the key properties of [2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine?
[2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine has a molecular weight of 257.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine is sourced from PubChem (CID 43529898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).