4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine

C9H7ClF3N — CID 176542622

IUPAC4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine
SMILESCNC1=C=CC(Cl)=CC=C1C(F)(F)F
InChIInChI=1S/C9H7ClF3N/c1-14-8-5-3-6(10)2-4-7(8)9(11,12)13/h2-4,14H,1H3
InChIKeyIYTNPGNFKWFJDS-UHFFFAOYSA-N
MW221.61 g/mol
LogP2.87
Rot. Bonds1

About 4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine

4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine (PubChem CID 176542622) has the molecular formula C9H7ClF3N and a molecular weight of 221.61 g/mol. Its IUPAC name is 4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine
PubChem CID176542622
Molecular FormulaC9H7ClF3N
Molecular Weight221.61 g/mol
Exact Mass221.02
IUPAC Name4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine
SMILESCNC1=C=CC(Cl)=CC=C1C(F)(F)F
InChIInChI=1S/C9H7ClF3N/c1-14-8-5-3-6(10)2-4-7(8)9(11,12)13/h2-4,14H,1H3
InChIKeyIYTNPGNFKWFJDS-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-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 4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine?
The IUPAC name of 4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine (CID 176542622) is 4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine.
What is the SMILES notation for 4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine?
The canonical SMILES for 4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine is CNC1=C=CC(Cl)=CC=C1C(F)(F)F.
What is the InChIKey of 4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine?
The InChIKey is IYTNPGNFKWFJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N/c1-14-8-5-3-6(10)2-4-7(8)9(11,12)13/h2-4,14H,1H3.
What are the key properties of 4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine?
4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine has a molecular weight of 221.61 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine is sourced from PubChem (CID 176542622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).