(E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine

C9H9ClFN — CID 144573997

IUPAC(E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine
SMILESC/C(N)=C\c1ccc(F)cc1Cl
InChIInChI=1S/C9H9ClFN/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-5H,12H2,1H3/b6-4+
InChIKeyFNKWPEWXXPAOFD-GQCTYLIASA-N
MW185.63 g/mol
LogP2.80
Rot. Bonds1

About (E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine

(E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine (PubChem CID 144573997) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is (E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine
PubChem CID144573997
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name(E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine
SMILESC/C(N)=C\c1ccc(F)cc1Cl
InChIInChI=1S/C9H9ClFN/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-5H,12H2,1H3/b6-4+
InChIKeyFNKWPEWXXPAOFD-GQCTYLIASA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine?
The IUPAC name of (E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine (CID 144573997) is (E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine.
What is the SMILES notation for (E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine?
The canonical SMILES for (E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine is C/C(N)=C\c1ccc(F)cc1Cl.
What is the InChIKey of (E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine?
The InChIKey is FNKWPEWXXPAOFD-GQCTYLIASA-N. The full InChI is InChI=1S/C9H9ClFN/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-5H,12H2,1H3/b6-4+.
What are the key properties of (E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine?
(E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine has a molecular weight of 185.63 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine is sourced from PubChem (CID 144573997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).