(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one

C15H9ClF2O — CID 7945580

IUPAC(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C15H9ClF2O/c16-12-4-2-1-3-10(12)6-8-15(19)11-5-7-13(17)14(18)9-11/h1-9H/b8-6+
InChIKeyOXZJSJIYUFKTBA-SOFGYWHQSA-N
MW278.69 g/mol
LogP4.51
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one

(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one (PubChem CID 7945580) has the molecular formula C15H9ClF2O and a molecular weight of 278.69 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
PubChem CID7945580
Molecular FormulaC15H9ClF2O
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C15H9ClF2O/c16-12-4-2-1-3-10(12)6-8-15(19)11-5-7-13(17)14(18)9-11/h1-9H/b8-6+
InChIKeyOXZJSJIYUFKTBA-SOFGYWHQSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
CID 155817922
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5175101
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
methyl 2-[(E)-3-(3,4-difluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 9035738
(E)-3-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 11842511
(E)-3-(3-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 8826736
(E)-1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 47241616
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
1-(3,4-difluorophenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 71423090
1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 84848856
(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579
1-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 5240637

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one (CID 7945580) is (E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one?
The InChIKey is OXZJSJIYUFKTBA-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H9ClF2O/c16-12-4-2-1-3-10(12)6-8-15(19)11-5-7-13(17)14(18)9-11/h1-9H/b8-6+.
What are the key properties of (E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one?
(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one has a molecular weight of 278.69 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 7945580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).