trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine

C9H9BrFN — CID 124596247

IUPACtrans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(Br)c(F)c1
InChIInChI=1S/C9H9BrFN/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2/t6-,9+/m1/s1
InChIKeyXEDSGSRYSSNECI-MUWHJKNJSA-N
MW230.08 g/mol
LogP2.40
Rot. Bonds1

About trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine

trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine (PubChem CID 124596247) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine
PubChem CID124596247
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Nametrans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(Br)c(F)c1
InChIInChI=1S/C9H9BrFN/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2/t6-,9+/m1/s1
InChIKeyXEDSGSRYSSNECI-MUWHJKNJSA-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 trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine (CID 124596247) is trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine is N[C@H]1C[C@@H]1c1ccc(Br)c(F)c1.
What is the InChIKey of trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine?
The InChIKey is XEDSGSRYSSNECI-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2/t6-,9+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine?
trans-(1S,2R)-2-(4-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 trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 124596247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).