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

C9H9BrFN — CID 84736108

IUPAC1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
SMILESNC1(c2cccc(F)c2Br)CC1
InChIInChI=1S/C9H9BrFN/c10-8-6(9(12)4-5-9)2-1-3-7(8)11/h1-3H,4-5,12H2
InChIKeyLSUDWKUZDRVXCX-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.54
Rot. Bonds1

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

1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine (PubChem CID 84736108) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
PubChem CID84736108
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
SMILESNC1(c2cccc(F)c2Br)CC1
InChIInChI=1S/C9H9BrFN/c10-8-6(9(12)4-5-9)2-1-3-7(8)11/h1-3H,4-5,12H2
InChIKeyLSUDWKUZDRVXCX-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84806376
1-(2-bromophenyl)cycloheptan-1-amine
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1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
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CID 82622115
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine (CID 84736108) is 1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine is NC1(c2cccc(F)c2Br)CC1.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine?
The InChIKey is LSUDWKUZDRVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-8-6(9(12)4-5-9)2-1-3-7(8)11/h1-3H,4-5,12H2.
What are the key properties of 1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine?
1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine has a molecular weight of 230.08 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 84736108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).