2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one

C7H6F4O2 — CID 140605224

IUPAC2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(C(F)(F)C(F)F)C1
InChIInChI=1S/C7H6F4O2/c8-6(9)7(10,11)5-3-4(12)1-2-13-5/h1-2,5-6H,3H2
InChIKeyQXKKDQZFIVXETC-UHFFFAOYSA-N
MW198.11 g/mol
LogP1.76
Rot. Bonds2

About 2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one

2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one (PubChem CID 140605224) has the molecular formula C7H6F4O2 and a molecular weight of 198.11 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one
PubChem CID140605224
Molecular FormulaC7H6F4O2
Molecular Weight198.11 g/mol
Exact Mass198.03
IUPAC Name2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(C(F)(F)C(F)F)C1
InChIInChI=1S/C7H6F4O2/c8-6(9)7(10,11)5-3-4(12)1-2-13-5/h1-2,5-6H,3H2
InChIKeyQXKKDQZFIVXETC-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3,4-dihydro-2H-pyran-4-one
CID 13197910
2-Ethyl-3,3-difluoro-2,3-dihydro-4H-pyran-4-one
CID 45090769
(E)-1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-3-one
CID 117835817
2-(2,2,2-Trifluoroethyl)-2,3-dihydropyran-4-one
CID 118366718
1-Ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-3-one
CID 124000401
2-[1-(Difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one
CID 140605225
2-(Difluoromethyl)-2,3-dihydropyran-4-one
CID 10464474
2-(1,1,2,2,3,3,4,4-Octafluorobutyl)-2,3-dihydropyran-4-one
CID 15321294
(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

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one (CID 140605224) is 2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one is O=C1C=COC(C(F)(F)C(F)F)C1.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one?
The InChIKey is QXKKDQZFIVXETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4O2/c8-6(9)7(10,11)5-3-4(12)1-2-13-5/h1-2,5-6H,3H2.
What are the key properties of 2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one?
2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one has a molecular weight of 198.11 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 140605224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).