3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine

C13H16F3N — CID 105411759

IUPAC3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H16F3N/c14-10-4-9(5-11(15)6-10)7-13(16)3-1-2-12(17)8-13/h4-6,12H,1-3,7-8,17H2
InChIKeyFKRKCMJRTSYBSH-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.12
Rot. Bonds2

About 3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine

3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine (PubChem CID 105411759) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine
PubChem CID105411759
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H16F3N/c14-10-4-9(5-11(15)6-10)7-13(16)3-1-2-12(17)8-13/h4-6,12H,1-3,7-8,17H2
InChIKeyFKRKCMJRTSYBSH-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine (CID 105411759) is 3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine is NC1CCCC(F)(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine?
The InChIKey is FKRKCMJRTSYBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-10-4-9(5-11(15)6-10)7-13(16)3-1-2-12(17)8-13/h4-6,12H,1-3,7-8,17H2.
What are the key properties of 3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine?
3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 105411759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).