3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one

C15H10F2O — CID 72689101

IUPAC3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C15H10F2O/c16-13-8-4-7-12(15(13)17)9-10-14(18)11-5-2-1-3-6-11/h1-10H
InChIKeyAITUXTUQJSKYHZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.86
Rot. Bonds3

About 3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one

3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one (PubChem CID 72689101) has the molecular formula C15H10F2O and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
PubChem CID72689101
Molecular FormulaC15H10F2O
Molecular Weight244.24 g/mol
Exact Mass244.07
IUPAC Name3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C15H10F2O/c16-13-8-4-7-12(15(13)17)9-10-14(18)11-5-2-1-3-6-11/h1-10H
InChIKeyAITUXTUQJSKYHZ-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.86
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)-3-(2,3-difluorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 19824784
(E)-4-(2,3-difluorophenyl)-2-oxobut-3-enoic acid
CID 103200058
(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564972
(E)-1-(4-tert-butylphenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7967097
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
CID 69039311
3-(2,3-difluorophenyl)-1-(3-methoxy-4-methylsulfanylphenyl)prop-2-en-1-one
CID 72689037
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 72688991
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
4-(2-fluorophenyl)-1-phenylbut-3-ene-1,2-dione
CID 71861127
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
4-[3-(2-fluorophenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4041053

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one (CID 72689101) is 3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one is O=C(C=Cc1cccc(F)c1F)c1ccccc1.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one?
The InChIKey is AITUXTUQJSKYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O/c16-13-8-4-7-12(15(13)17)9-10-14(18)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one?
3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one has a molecular weight of 244.24 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 72689101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).