3-(2-fluorophenyl)cyclohexan-1-amine

C12H16FN — CID 64503186

IUPAC3-(2-fluorophenyl)cyclohexan-1-amine
SMILESNC1CCCC(c2ccccc2F)C1
InChIInChI=1S/C12H16FN/c13-12-7-2-1-6-11(12)9-4-3-5-10(14)8-9/h1-2,6-7,9-10H,3-5,8,14H2
InChIKeyPNQVBHVSZDAJAK-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.81
Rot. Bonds1

About 3-(2-fluorophenyl)cyclohexan-1-amine

3-(2-fluorophenyl)cyclohexan-1-amine (PubChem CID 64503186) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)cyclohexan-1-amine
PubChem CID64503186
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-(2-fluorophenyl)cyclohexan-1-amine
SMILESNC1CCCC(c2ccccc2F)C1
InChIInChI=1S/C12H16FN/c13-12-7-2-1-6-11(12)9-4-3-5-10(14)8-9/h1-2,6-7,9-10H,3-5,8,14H2
InChIKeyPNQVBHVSZDAJAK-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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CID 79698

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)cyclohexan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)cyclohexan-1-amine (CID 64503186) is 3-(2-fluorophenyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)cyclohexan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)cyclohexan-1-amine is NC1CCCC(c2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)cyclohexan-1-amine?
The InChIKey is PNQVBHVSZDAJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c13-12-7-2-1-6-11(12)9-4-3-5-10(14)8-9/h1-2,6-7,9-10H,3-5,8,14H2.
What are the key properties of 3-(2-fluorophenyl)cyclohexan-1-amine?
3-(2-fluorophenyl)cyclohexan-1-amine has a molecular weight of 193.27 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)cyclohexan-1-amine is sourced from PubChem (CID 64503186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).