6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine

C9H12F3NO — CID 70201761

IUPAC6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
SMILESCC1(OCC(F)(F)F)C=CC=CC1N
InChIInChI=1S/C9H12F3NO/c1-8(14-6-9(10,11)12)5-3-2-4-7(8)13/h2-5,7H,6,13H2,1H3
InChIKeyDMNNXVLYOZQXCA-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.78
Rot. Bonds2

About 6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine

6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine (PubChem CID 70201761) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
PubChem CID70201761
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
SMILESCC1(OCC(F)(F)F)C=CC=CC1N
InChIInChI=1S/C9H12F3NO/c1-8(14-6-9(10,11)12)5-3-2-4-7(8)13/h2-5,7H,6,13H2,1H3
InChIKeyDMNNXVLYOZQXCA-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine 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 6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine (CID 70201761) is 6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine is CC1(OCC(F)(F)F)C=CC=CC1N.
What is the InChIKey of 6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is DMNNXVLYOZQXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-8(14-6-9(10,11)12)5-3-2-4-7(8)13/h2-5,7H,6,13H2,1H3.
What are the key properties of 6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine?
6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 207.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70201761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).