[3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine

C13H11F5N2 — CID 173000596

IUPAC[3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine
SMILESNCc1ncc(C2=C(F)CC(C(F)(F)F)C=C2)cc1F
InChIInChI=1S/C13H11F5N2/c14-10-4-8(13(16,17)18)1-2-9(10)7-3-11(15)12(5-19)20-6-7/h1-3,6,8H,4-5,19H2
InChIKeyRXYKJMJMEFQRJL-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.50
Rot. Bonds2

About [3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine

[3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine (PubChem CID 173000596) has the molecular formula C13H11F5N2 and a molecular weight of 290.24 g/mol. Its IUPAC name is [3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine
PubChem CID173000596
Molecular FormulaC13H11F5N2
Molecular Weight290.24 g/mol
Exact Mass290.08
IUPAC Name[3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine
SMILESNCc1ncc(C2=C(F)CC(C(F)(F)F)C=C2)cc1F
InChIInChI=1S/C13H11F5N2/c14-10-4-8(13(16,17)18)1-2-9(10)7-3-11(15)12(5-19)20-6-7/h1-3,6,8H,4-5,19H2
InChIKeyRXYKJMJMEFQRJL-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine?
The IUPAC name of [3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine (CID 173000596) is [3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine is NCc1ncc(C2=C(F)CC(C(F)(F)F)C=C2)cc1F.
What is the InChIKey of [3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine?
The InChIKey is RXYKJMJMEFQRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F5N2/c14-10-4-8(13(16,17)18)1-2-9(10)7-3-11(15)12(5-19)20-6-7/h1-3,6,8H,4-5,19H2.
What are the key properties of [3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine?
[3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine has a molecular weight of 290.24 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 173000596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).