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

C14H12F2O3 — CID 71745270

IUPAC(2R)-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-/m1/s1
InChIKeyIXOKVJDFVZKAAB-NNNHXZLVSA-N
MW266.24 g/mol
LogP2.83
Rot. Bonds3

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

(2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one (PubChem CID 71745270) has the molecular formula C14H12F2O3 and a molecular weight of 266.24 g/mol. Its IUPAC name is (2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one.

Molecular Properties

Compound Name(2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one
PubChem CID71745270
Molecular FormulaC14H12F2O3
Molecular Weight266.24 g/mol
Exact Mass266.08
IUPAC Name(2R)-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-/m1/s1
InChIKeyIXOKVJDFVZKAAB-NNNHXZLVSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one?
The IUPAC name of (2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one (CID 71745270) is (2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one.
What is the SMILES notation for (2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one?
The canonical SMILES for (2R)-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 (2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one?
The InChIKey is IXOKVJDFVZKAAB-NNNHXZLVSA-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-/m1/s1.
What are the key properties of (2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one?
(2R)-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 (2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one is sourced from PubChem (CID 71745270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).