1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine

C9H9ClFN — CID 55265753

IUPAC1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine
SMILESNC1(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C9H9ClFN/c10-6-1-2-7(8(11)5-6)9(12)3-4-9/h1-2,5H,3-4,12H2
InChIKeyMIOAWDZKXBHHLC-UHFFFAOYSA-N
MW185.63 g/mol
LogP2.43
Rot. Bonds1

About 1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine

1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine (PubChem CID 55265753) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine
PubChem CID55265753
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine
SMILESNC1(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C9H9ClFN/c10-6-1-2-7(8(11)5-6)9(12)3-4-9/h1-2,5H,3-4,12H2
InChIKeyMIOAWDZKXBHHLC-UHFFFAOYSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine (CID 55265753) is 1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine is NC1(c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine?
The InChIKey is MIOAWDZKXBHHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-6-1-2-7(8(11)5-6)9(12)3-4-9/h1-2,5H,3-4,12H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine?
1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine has a molecular weight of 185.63 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 55265753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).