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

C8H9F4N — CID 67402819

IUPAC[1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1(F)C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C8H9F4N/c9-7(5-13)3-1-2-6(4-7)8(10,11)12/h1-2,4H,3,5,13H2
InChIKeyIFJMHNXTRGHWEA-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.10
Rot. Bonds1

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

[1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 67402819) has the molecular formula C8H9F4N and a molecular weight of 195.16 g/mol. Its IUPAC name is [1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
PubChem CID67402819
Molecular FormulaC8H9F4N
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name[1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1(F)C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C8H9F4N/c9-7(5-13)3-1-2-6(4-7)8(10,11)12/h1-2,4H,3,5,13H2
InChIKeyIFJMHNXTRGHWEA-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-fluoro-3-(trifluoromethyl)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 [1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine (CID 67402819) is [1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine is NCC1(F)C=C(C(F)(F)F)C=CC1.
What is the InChIKey of [1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is IFJMHNXTRGHWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N/c9-7(5-13)3-1-2-6(4-7)8(10,11)12/h1-2,4H,3,5,13H2.
What are the key properties of [1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine?
[1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 195.16 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 67402819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).