cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine

C9H9BrFN — CID 93299663

IUPACcis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@@H]1c1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFN/c10-5-1-2-6(8(11)3-5)7-4-9(7)12/h1-3,7,9H,4,12H2/t7-,9-/m1/s1
InChIKeyJECUOTQOACDIOO-VXNVDRBHSA-N
MW230.08 g/mol
LogP2.40
Rot. Bonds1

About cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine

cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine (PubChem CID 93299663) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine
PubChem CID93299663
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Namecis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@@H]1c1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFN/c10-5-1-2-6(8(11)3-5)7-4-9(7)12/h1-3,7,9H,4,12H2/t7-,9-/m1/s1
InChIKeyJECUOTQOACDIOO-VXNVDRBHSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cis-(1R,2R)-2-(4-bromo-2-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 cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine (CID 93299663) is cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine is N[C@@H]1C[C@@H]1c1ccc(Br)cc1F.
What is the InChIKey of cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine?
The InChIKey is JECUOTQOACDIOO-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-5-1-2-6(8(11)3-5)7-4-9(7)12/h1-3,7,9H,4,12H2/t7-,9-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine?
cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine has a molecular weight of 230.08 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(4-bromo-2-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 93299663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).