2-(difluoromethyl)-2,3-dihydropyran-4-one

C6H6F2O2 — CID 10464474

IUPAC2-(difluoromethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(C(F)F)C1
InChIInChI=1S/C6H6F2O2/c7-6(8)5-3-4(9)1-2-10-5/h1-2,5-6H,3H2
InChIKeyCMZUEKGQBQPQOL-UHFFFAOYSA-N
MW148.11 g/mol
LogP1.12
Rot. Bonds1

About 2-(difluoromethyl)-2,3-dihydropyran-4-one

2-(difluoromethyl)-2,3-dihydropyran-4-one (PubChem CID 10464474) has the molecular formula C6H6F2O2 and a molecular weight of 148.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-2,3-dihydropyran-4-one
PubChem CID10464474
Molecular FormulaC6H6F2O2
Molecular Weight148.11 g/mol
Exact Mass148.03
IUPAC Name2-(difluoromethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(C(F)F)C1
InChIInChI=1S/C6H6F2O2/c7-6(8)5-3-4(9)1-2-10-5/h1-2,5-6H,3H2
InChIKeyCMZUEKGQBQPQOL-UHFFFAOYSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3,4-dihydro-2H-pyran-4-one
CID 10909523
2-Ethyl-3,3-difluoro-2,3-dihydro-4H-pyran-4-one
CID 45090769
2-(2,2,2-Trifluoroethyl)-2,3-dihydropyran-4-one
CID 118366718
2-(1,1,2,2-Tetrafluoroethyl)-2,3-dihydropyran-4-one
CID 140605224
(S)-2-Methyl-2H-pyran-4(3H)-one
CID 5324863
(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one
CID 101060061
(2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one
CID 101060065
(2S)-2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one
CID 129522027
(2R)-2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one
CID 129522028
(R)-2-methyl-2H-pyran-4(3H)-one
CID 12152438

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(difluoromethyl)-2,3-dihydropyran-4-one (CID 10464474) is 2-(difluoromethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(difluoromethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(difluoromethyl)-2,3-dihydropyran-4-one is O=C1C=COC(C(F)F)C1.
What is the InChIKey of 2-(difluoromethyl)-2,3-dihydropyran-4-one?
The InChIKey is CMZUEKGQBQPQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O2/c7-6(8)5-3-4(9)1-2-10-5/h1-2,5-6H,3H2.
What are the key properties of 2-(difluoromethyl)-2,3-dihydropyran-4-one?
2-(difluoromethyl)-2,3-dihydropyran-4-one has a molecular weight of 148.11 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 10464474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).