[4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine

C9H12F3N — CID 142478074

IUPAC[4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCC1=CC=C(CN)C(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N/c1-6-2-3-7(5-13)8(4-6)9(10,11)12/h2-3,8H,4-5,13H2,1H3
InChIKeyIJFHWZFSOOZUHQ-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.40
Rot. Bonds1

About [4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine

[4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 142478074) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is [4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID142478074
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name[4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCC1=CC=C(CN)C(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N/c1-6-2-3-7(5-13)8(4-6)9(10,11)12/h2-3,8H,4-5,13H2,1H3
InChIKeyIJFHWZFSOOZUHQ-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-methyl-6-(trifluoromethyl)cyclohexa-1,3-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 [4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine (CID 142478074) is [4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine is CC1=CC=C(CN)C(C(F)(F)F)C1.
What is the InChIKey of [4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is IJFHWZFSOOZUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6-2-3-7(5-13)8(4-6)9(10,11)12/h2-3,8H,4-5,13H2,1H3.
What are the key properties of [4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine?
[4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 191.20 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 142478074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).