(2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one

C14H12F2O3 — CID 71745464

IUPAC(2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one
SMILESCOc1ccccc1/C=C/[C@@H]1OC(=O)C=CC1(F)F
InChIInChI=1S/C14H12F2O3/c1-18-11-5-3-2-4-10(11)6-7-12-14(15,16)9-8-13(17)19-12/h2-9,12H,1H3/b7-6+/t12-/m0/s1
InChIKeyIXOKVJDFVZKAAB-SYTKJHMZSA-N
MW266.24 g/mol
LogP2.83
Rot. Bonds3

About (2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one

(2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one (PubChem CID 71745464) has the molecular formula C14H12F2O3 and a molecular weight of 266.24 g/mol. Its IUPAC name is (2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one.

Molecular Properties

Compound Name(2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one
PubChem CID71745464
Molecular FormulaC14H12F2O3
Molecular Weight266.24 g/mol
Exact Mass266.08
IUPAC Name(2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one
SMILESCOc1ccccc1/C=C/[C@@H]1OC(=O)C=CC1(F)F
InChIInChI=1S/C14H12F2O3/c1-18-11-5-3-2-4-10(11)6-7-12-14(15,16)9-8-13(17)19-12/h2-9,12H,1H3/b7-6+/t12-/m0/s1
InChIKeyIXOKVJDFVZKAAB-SYTKJHMZSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one
CID 71745270
(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane
CID 24806595
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
1-(4-hydroxy-4-methoxycyclohexa-1,5-dien-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 67778956
(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 2412090
1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene
CID 101454331
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
1-methoxy-2-(2-methylsulfonylethenyl)benzene
CID 71427432
1-[(1E,3E)-4-bromobuta-1,3-dienyl]-2-methoxybenzene
CID 177481549
1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
CID 10375267
(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one
CID 23274353
(2S)-3-[(2R)-butan-2-yl]-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,2-dihydroquinazolin-4-one
CID 9007975

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one?
The IUPAC name of (2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one (CID 71745464) is (2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one.
What is the SMILES notation for (2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one?
The canonical SMILES for (2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one is COc1ccccc1/C=C/[C@@H]1OC(=O)C=CC1(F)F.
What is the InChIKey of (2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one?
The InChIKey is IXOKVJDFVZKAAB-SYTKJHMZSA-N. The full InChI is InChI=1S/C14H12F2O3/c1-18-11-5-3-2-4-10(11)6-7-12-14(15,16)9-8-13(17)19-12/h2-9,12H,1H3/b7-6+/t12-/m0/s1.
What are the key properties of (2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one?
(2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one has a molecular weight of 266.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one is sourced from PubChem (CID 71745464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).