2-(3,5-difluorophenyl)cyclohexan-1-amine

C12H15F2N — CID 62801272

IUPAC2-(3,5-difluorophenyl)cyclohexan-1-amine
SMILESNC1CCCCC1c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c13-9-5-8(6-10(14)7-9)11-3-1-2-4-12(11)15/h5-7,11-12H,1-4,15H2
InChIKeyILQBWRSKJMBYGF-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.95
Rot. Bonds1

About 2-(3,5-difluorophenyl)cyclohexan-1-amine

2-(3,5-difluorophenyl)cyclohexan-1-amine (PubChem CID 62801272) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)cyclohexan-1-amine
PubChem CID62801272
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-(3,5-difluorophenyl)cyclohexan-1-amine
SMILESNC1CCCCC1c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c13-9-5-8(6-10(14)7-9)11-3-1-2-4-12(11)15/h5-7,11-12H,1-4,15H2
InChIKeyILQBWRSKJMBYGF-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)cyclohexan-1-amine?
The IUPAC name of 2-(3,5-difluorophenyl)cyclohexan-1-amine (CID 62801272) is 2-(3,5-difluorophenyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)cyclohexan-1-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)cyclohexan-1-amine is NC1CCCCC1c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)cyclohexan-1-amine?
The InChIKey is ILQBWRSKJMBYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-9-5-8(6-10(14)7-9)11-3-1-2-4-12(11)15/h5-7,11-12H,1-4,15H2.
What are the key properties of 2-(3,5-difluorophenyl)cyclohexan-1-amine?
2-(3,5-difluorophenyl)cyclohexan-1-amine has a molecular weight of 211.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)cyclohexan-1-amine is sourced from PubChem (CID 62801272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).