(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one

C15H10F2O — CID 139410586

IUPAC(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1F)c1ccccc1F
InChIInChI=1S/C15H10F2O/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10H/b10-9+
InChIKeyFFWSKGOESIYIBD-MDZDMXLPSA-N
MW244.24 g/mol
LogP3.86
Rot. Bonds3

About (E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one

(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one (PubChem CID 139410586) has the molecular formula C15H10F2O and a molecular weight of 244.24 g/mol. Its IUPAC name is (E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
PubChem CID139410586
Molecular FormulaC15H10F2O
Molecular Weight244.24 g/mol
Exact Mass244.07
IUPAC Name(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1F)c1ccccc1F
InChIInChI=1S/C15H10F2O/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10H/b10-9+
InChIKeyFFWSKGOESIYIBD-MDZDMXLPSA-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

1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 84848856
(E)-3-(2-fluorophenyl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 19561003
(E)-3-(2-fluorophenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
CID 169450958
(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 10399428
(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
(E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 8855869
N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide
CID 39735035
3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide
CID 76872152
4-(2-fluorophenyl)-1-phenylbut-3-ene-1,2-dione
CID 71861127

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one (CID 139410586) is (E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1F)c1ccccc1F.
What is the InChIKey of (E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one?
The InChIKey is FFWSKGOESIYIBD-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H10F2O/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10H/b10-9+.
What are the key properties of (E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one?
(E)-1,3-bis(2-fluorophenyl)prop-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 (E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 139410586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).