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

C15H12FNO — CID 44592181

IUPAC(E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESNc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FNO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H,17H2/b10-3+
InChIKeyDUDSFAUTFBXEHO-XCVCLJGOSA-N
MW241.26 g/mol
LogP3.30
Rot. Bonds3

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

(E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 44592181) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID44592181
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name(E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESNc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FNO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H,17H2/b10-3+
InChIKeyDUDSFAUTFBXEHO-XCVCLJGOSA-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 ≤ 500241.26
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)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (CID 44592181) is (E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one is Nc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is DUDSFAUTFBXEHO-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H,17H2/b10-3+.
What are the key properties of (E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
(E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 241.26 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)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 44592181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).