(Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one

C16H12ClFO — CID 102132918

IUPAC(Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C(F)=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClFO/c1-11-2-6-13(7-3-11)16(19)15(18)10-12-4-8-14(17)9-5-12/h2-10H,1H3/b15-10-
InChIKeyXPNIRQRUEFIXPR-GDNBJRDFSA-N
MW274.72 g/mol
LogP4.84
Rot. Bonds3

About (Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one

(Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one (PubChem CID 102132918) has the molecular formula C16H12ClFO and a molecular weight of 274.72 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one
PubChem CID102132918
Molecular FormulaC16H12ClFO
Molecular Weight274.72 g/mol
Exact Mass274.06
IUPAC Name(Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C(F)=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClFO/c1-11-2-6-13(7-3-11)16(19)15(18)10-12-4-8-14(17)9-5-12/h2-10H,1H3/b15-10-
InChIKeyXPNIRQRUEFIXPR-GDNBJRDFSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one (CID 102132918) is (Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(C(=O)/C(F)=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is XPNIRQRUEFIXPR-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H12ClFO/c1-11-2-6-13(7-3-11)16(19)15(18)10-12-4-8-14(17)9-5-12/h2-10H,1H3/b15-10-.
What are the key properties of (Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one?
(Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 274.72 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 102132918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).