2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine

C8H11ClFN — CID 146182565

IUPAC2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C(Cl)C(C)C(F)C=C1
InChIInChI=1S/C8H11ClFN/c1-5-6(10)3-4-7(11-2)8(5)9/h3-6,11H,1-2H3
InChIKeyBREVKKYURQGNKT-UHFFFAOYSA-N
MW175.63 g/mol
LogP2.20
Rot. Bonds1

About 2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine

2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 146182565) has the molecular formula C8H11ClFN and a molecular weight of 175.63 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID146182565
Molecular FormulaC8H11ClFN
Molecular Weight175.63 g/mol
Exact Mass175.06
IUPAC Name2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C(Cl)C(C)C(F)C=C1
InChIInChI=1S/C8H11ClFN/c1-5-6(10)3-4-7(11-2)8(5)9/h3-6,11H,1-2H3
InChIKeyBREVKKYURQGNKT-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.63
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-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 2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine (CID 146182565) is 2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine is CNC1=C(Cl)C(C)C(F)C=C1.
What is the InChIKey of 2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is BREVKKYURQGNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFN/c1-5-6(10)3-4-7(11-2)8(5)9/h3-6,11H,1-2H3.
What are the key properties of 2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine?
2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 175.63 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 146182565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).