6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine

C7H7F4NO — CID 151604141

IUPAC6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1(F)OC(F)(F)F
InChIInChI=1S/C7H7F4NO/c8-6(13-7(9,10)11)4-2-1-3-5(6)12/h1-5H,12H2
InChIKeyQLCNVVXXUWNMOJ-UHFFFAOYSA-N
MW197.13 g/mol
LogP1.64
Rot. Bonds1

About 6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine

6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine (PubChem CID 151604141) has the molecular formula C7H7F4NO and a molecular weight of 197.13 g/mol. Its IUPAC name is 6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
PubChem CID151604141
Molecular FormulaC7H7F4NO
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1(F)OC(F)(F)F
InChIInChI=1S/C7H7F4NO/c8-6(13-7(9,10)11)4-2-1-3-5(6)12/h1-5H,12H2
InChIKeyQLCNVVXXUWNMOJ-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-6-(trifluoromethoxy)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-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine (CID 151604141) is 6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine is NC1C=CC=CC1(F)OC(F)(F)F.
What is the InChIKey of 6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is QLCNVVXXUWNMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4NO/c8-6(13-7(9,10)11)4-2-1-3-5(6)12/h1-5H,12H2.
What are the key properties of 6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 197.13 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 151604141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).