(E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one

C15H12FNO — CID 45032321

IUPAC(E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
SMILESNc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C15H12FNO/c16-13-7-4-11(5-8-13)6-9-15(18)12-2-1-3-14(17)10-12/h1-10H,17H2/b9-6+
InChIKeyPZYOMUYFYVRVAP-RMKNXTFCSA-N
MW241.27 g/mol
LogP3.30
Rot. Bonds3

About (E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one

(E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 45032321) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is (E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
PubChem CID45032321
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name(E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
SMILESNc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C15H12FNO/c16-13-7-4-11(5-8-13)6-9-15(18)12-2-1-3-14(17)10-12/h1-10H,17H2/b9-6+
InChIKeyPZYOMUYFYVRVAP-RMKNXTFCSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one (CID 45032321) is (E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one is Nc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1.
What is the InChIKey of (E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is PZYOMUYFYVRVAP-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-7-4-11(5-8-13)6-9-15(18)12-2-1-3-14(17)10-12/h1-10H,17H2/b9-6+.
What are the key properties of (E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one?
(E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 241.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 45032321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).