1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride

C9H10BrClFN — CID 71743720

IUPAC1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(F)cc2Br)CC1
InChIInChI=1S/C9H9BrFN.ClH/c10-8-5-6(11)1-2-7(8)9(12)3-4-9;/h1-2,5H,3-4,12H2;1H
InChIKeyXRYOHXFAKQLLMP-UHFFFAOYSA-N
MW266.54 g/mol
LogP2.96
Rot. Bonds1

About 1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride

1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 71743720) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID71743720
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(F)cc2Br)CC1
InChIInChI=1S/C9H9BrFN.ClH/c10-8-5-6(11)1-2-7(8)9(12)3-4-9;/h1-2,5H,3-4,12H2;1H
InChIKeyXRYOHXFAKQLLMP-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride (CID 71743720) is 1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride is Cl.NC1(c2ccc(F)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is XRYOHXFAKQLLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN.ClH/c10-8-5-6(11)1-2-7(8)9(12)3-4-9;/h1-2,5H,3-4,12H2;1H.
What are the key properties of 1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride?
1-(2-bromo-4-fluorophenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 266.54 g/mol, XLogP of 2.96, 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-fluorophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 71743720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).