1-(2,4-difluorophenyl)cyclohexan-1-amine

C12H15F2N — CID 62802198

IUPAC1-(2,4-difluorophenyl)cyclohexan-1-amine
SMILESNC1(c2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C12H15F2N/c13-9-4-5-10(11(14)8-9)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2
InChIKeyBJEGUZPSPLJRED-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.08
Rot. Bonds1

About 1-(2,4-difluorophenyl)cyclohexan-1-amine

1-(2,4-difluorophenyl)cyclohexan-1-amine (PubChem CID 62802198) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)cyclohexan-1-amine
PubChem CID62802198
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name1-(2,4-difluorophenyl)cyclohexan-1-amine
SMILESNC1(c2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C12H15F2N/c13-9-4-5-10(11(14)8-9)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2
InChIKeyBJEGUZPSPLJRED-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)cyclohexan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)cyclohexan-1-amine (CID 62802198) is 1-(2,4-difluorophenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)cyclohexan-1-amine is NC1(c2ccc(F)cc2F)CCCCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)cyclohexan-1-amine?
The InChIKey is BJEGUZPSPLJRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-9-4-5-10(11(14)8-9)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2.
What are the key properties of 1-(2,4-difluorophenyl)cyclohexan-1-amine?
1-(2,4-difluorophenyl)cyclohexan-1-amine has a molecular weight of 211.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)cyclohexan-1-amine is sourced from PubChem (CID 62802198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).