1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine

C9H8BrClFN — CID 84807442

IUPAC1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine
SMILESNC1(c2c(F)cc(Cl)cc2Br)CC1
InChIInChI=1S/C9H8BrClFN/c10-6-3-5(11)4-7(12)8(6)9(13)1-2-9/h3-4H,1-2,13H2
InChIKeyFDQDPQNFWHTLHU-UHFFFAOYSA-N
MW264.52 g/mol
LogP3.19
Rot. Bonds1

About 1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine

1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine (PubChem CID 84807442) has the molecular formula C9H8BrClFN and a molecular weight of 264.52 g/mol. Its IUPAC name is 1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine
PubChem CID84807442
Molecular FormulaC9H8BrClFN
Molecular Weight264.52 g/mol
Exact Mass262.95
IUPAC Name1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine
SMILESNC1(c2c(F)cc(Cl)cc2Br)CC1
InChIInChI=1S/C9H8BrClFN/c10-6-3-5(11)4-7(12)8(6)9(13)1-2-9/h3-4H,1-2,13H2
InChIKeyFDQDPQNFWHTLHU-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-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 1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine (CID 84807442) is 1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine is NC1(c2c(F)cc(Cl)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine?
The InChIKey is FDQDPQNFWHTLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFN/c10-6-3-5(11)4-7(12)8(6)9(13)1-2-9/h3-4H,1-2,13H2.
What are the key properties of 1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine?
1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine has a molecular weight of 264.52 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 84807442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).