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

C17H15FO — CID 102132917

IUPAC(Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C(\F)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H15FO/c1-12-3-7-14(8-4-12)11-16(18)17(19)15-9-5-13(2)6-10-15/h3-11H,1-2H3/b16-11-
InChIKeyYSYNQGIFHYBGFF-WJDWOHSUSA-N
MW254.30 g/mol
LogP4.50
Rot. Bonds3

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

(Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one (PubChem CID 102132917) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is (Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one
PubChem CID102132917
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name(Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C(\F)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H15FO/c1-12-3-7-14(8-4-12)11-16(18)17(19)15-9-5-13(2)6-10-15/h3-11H,1-2H3/b16-11-
InChIKeyYSYNQGIFHYBGFF-WJDWOHSUSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 54.50
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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Related Compounds

(Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one
CID 102132918
(Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one
CID 102204906
2-fluoro-3-(4-methylphenyl)prop-2-enoic acid
CID 54302276
(E)-2-(4-methylbenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 12735895
(Z)-2-(4-methylbenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 44725770
(E)-2-(4-fluorobenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 9337914
1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286
(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 102229425
(Z)-2-bromo-1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 101427155
(Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one
CID 15358569
2-[(4-methylphenyl)methylidene]-1-phenylbutane-1,3-dione
CID 23267679
(Z)-1,2,3,4-tetrakis(4-methylphenyl)but-2-ene-1,4-dione
CID 12516207

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one (CID 102132917) is (Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one is Cc1ccc(/C=C(\F)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one?
The InChIKey is YSYNQGIFHYBGFF-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H15FO/c1-12-3-7-14(8-4-12)11-16(18)17(19)15-9-5-13(2)6-10-15/h3-11H,1-2H3/b16-11-.
What are the key properties of (Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one?
(Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one has a molecular weight of 254.30 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 102132917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).