5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine

C7H8F3NO — CID 162567188

IUPAC5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=CC(OC(F)(F)F)C1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-3,6H,4,11H2
InChIKeyYSRZAJMADWBDOL-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.69
Rot. Bonds1

About 5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine

5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine (PubChem CID 162567188) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine
PubChem CID162567188
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=CC(OC(F)(F)F)C1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-3,6H,4,11H2
InChIKeyYSRZAJMADWBDOL-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(trifluoromethoxy)cyclohexa-1,3-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 5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine (CID 162567188) is 5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine is NC1=CC=CC(OC(F)(F)F)C1.
What is the InChIKey of 5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine?
The InChIKey is YSRZAJMADWBDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-3,6H,4,11H2.
What are the key properties of 5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine?
5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine has a molecular weight of 179.14 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 162567188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).