2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine

C12H15F2NS — CID 64615360

IUPAC2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine
SMILESNC1CCCCC1Sc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NS/c13-9-6-5-8(7-10(9)14)16-12-4-2-1-3-11(12)15/h5-7,11-12H,1-4,15H2
InChIKeyGFHVGMXHMHFABF-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.33
Rot. Bonds2

About 2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine

2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine (PubChem CID 64615360) has the molecular formula C12H15F2NS and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine
PubChem CID64615360
Molecular FormulaC12H15F2NS
Molecular Weight243.32 g/mol
Exact Mass243.09
IUPAC Name2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine
SMILESNC1CCCCC1Sc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NS/c13-9-6-5-8(7-10(9)14)16-12-4-2-1-3-11(12)15/h5-7,11-12H,1-4,15H2
InChIKeyGFHVGMXHMHFABF-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine (CID 64615360) is 2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine is NC1CCCCC1Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine?
The InChIKey is GFHVGMXHMHFABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS/c13-9-6-5-8(7-10(9)14)16-12-4-2-1-3-11(12)15/h5-7,11-12H,1-4,15H2.
What are the key properties of 2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine?
2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine has a molecular weight of 243.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64615360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).