6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one

C8H10F2O2 — CID 15312551

IUPAC6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one
SMILESCC1(C)COC(C(F)F)=CC1=O
InChIInChI=1S/C8H10F2O2/c1-8(2)4-12-5(7(9)10)3-6(8)11/h3,7H,4H2,1-2H3
InChIKeyBNAHKKHLRHUARY-UHFFFAOYSA-N
MW176.16 g/mol
LogP1.76
Rot. Bonds1

About 6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one

6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one (PubChem CID 15312551) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is 6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one
PubChem CID15312551
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one
SMILESCC1(C)COC(C(F)F)=CC1=O
InChIInChI=1S/C8H10F2O2/c1-8(2)4-12-5(7(9)10)3-6(8)11/h3,7H,4H2,1-2H3
InChIKeyBNAHKKHLRHUARY-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethoxy-4,4-dimethylcyclobut-2-en-1-one
CID 85822538
3,3-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone
CID 15312547
6-(difluoromethyl)-2,2-dimethyl-3H-pyran-4-one
CID 130031554
(Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one
CID 59927458
6,6,6-Trifluoro-5-methoxy-2,2-dimethylhex-4-en-3-one
CID 123365984
4-Ethoxy-1,1,1-trifluorohex-4-en-2-one
CID 173529406
3,3-dimethyl-6-(1,1,2,2-tetrafluoroethyl)-2H-pyran-4-one
CID 15312549
3-Ethoxy-4,4-bis(trifluoromethyl)cyclobut-2-en-1-one
CID 101337502
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-one
CID 103146873
1-(2,2-Difluoroethoxy)-5-methylhex-4-en-3-one
CID 103147167
(Z)-6,6,6-trifluoro-5-methoxy-2,2-dimethylhex-4-en-3-one
CID 162588679
6-(2-Methylpropyl)-2,3-dihydropyran-4-one
CID 15128110

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one?
The IUPAC name of 6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one (CID 15312551) is 6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one?
The canonical SMILES for 6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one is CC1(C)COC(C(F)F)=CC1=O.
What is the InChIKey of 6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one?
The InChIKey is BNAHKKHLRHUARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c1-8(2)4-12-5(7(9)10)3-6(8)11/h3,7H,4H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one?
6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one has a molecular weight of 176.16 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3,3-dimethyl-2H-pyran-4-one is sourced from PubChem (CID 15312551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).