(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one

C19H12F2O — CID 7945612

IUPAC(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C19H12F2O/c20-15-9-10-17(18(21)12-15)19(22)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H/b11-8+
InChIKeyFQRYQBHVUNPXIA-DHZHZOJOSA-N
MW294.30 g/mol
LogP5.01
Rot. Bonds3

About (E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one

(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one (PubChem CID 7945612) has the molecular formula C19H12F2O and a molecular weight of 294.30 g/mol. Its IUPAC name is (E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one
PubChem CID7945612
Molecular FormulaC19H12F2O
Molecular Weight294.30 g/mol
Exact Mass294.09
IUPAC Name(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C19H12F2O/c20-15-9-10-17(18(21)12-15)19(22)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H/b11-8+
InChIKeyFQRYQBHVUNPXIA-DHZHZOJOSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.30
LogP ≤ 55.01
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-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 75849637
(E)-1-(2,4-difluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 8826829
(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7946173
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
(E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
CID 7945631
3-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 5036664
(E)-3-(2,4-difluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126187125
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920
(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 6045199
(E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 8826849
(E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one
CID 162436453

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one (CID 7945612) is (E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one is O=C(/C=C/c1cccc2ccccc12)c1ccc(F)cc1F.
What is the InChIKey of (E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is FQRYQBHVUNPXIA-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H12F2O/c20-15-9-10-17(18(21)12-15)19(22)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H/b11-8+.
What are the key properties of (E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one?
(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 294.30 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 7945612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).