2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine

C9H9BrFN — CID 131020942

IUPAC2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
SMILESNC1CC1c1cccc(F)c1Br
InChIInChI=1S/C9H9BrFN/c10-9-5(6-4-8(6)12)2-1-3-7(9)11/h1-3,6,8H,4,12H2
InChIKeyKPMDBUXAPBYLNI-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.40
Rot. Bonds1

About 2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine

2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine (PubChem CID 131020942) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
PubChem CID131020942
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
SMILESNC1CC1c1cccc(F)c1Br
InChIInChI=1S/C9H9BrFN/c10-9-5(6-4-8(6)12)2-1-3-7(9)11/h1-3,6,8H,4,12H2
InChIKeyKPMDBUXAPBYLNI-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine (CID 131020942) is 2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine is NC1CC1c1cccc(F)c1Br.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine?
The InChIKey is KPMDBUXAPBYLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-9-5(6-4-8(6)12)2-1-3-7(9)11/h1-3,6,8H,4,12H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine?
2-(2-bromo-3-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 2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 131020942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).