[5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine

C8H9F4NO — CID 162566363

IUPAC[5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1C=CC(OC(F)(F)F)=C(F)C1
InChIInChI=1S/C8H9F4NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-2,5H,3-4,13H2
InChIKeyJFFRILZNZLCGGP-UHFFFAOYSA-N
MW211.16 g/mol
LogP2.24
Rot. Bonds2

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

[5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 162566363) has the molecular formula C8H9F4NO and a molecular weight of 211.16 g/mol. Its IUPAC name is [5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
PubChem CID162566363
Molecular FormulaC8H9F4NO
Molecular Weight211.16 g/mol
Exact Mass211.06
IUPAC Name[5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1C=CC(OC(F)(F)F)=C(F)C1
InChIInChI=1S/C8H9F4NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-2,5H,3-4,13H2
InChIKeyJFFRILZNZLCGGP-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]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 [5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine (CID 162566363) is [5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine is NCC1C=CC(OC(F)(F)F)=C(F)C1.
What is the InChIKey of [5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is JFFRILZNZLCGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-2,5H,3-4,13H2.
What are the key properties of [5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
[5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 211.16 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 162566363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).