2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one

C8H8F4O3 — CID 140605225

IUPAC2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one
SMILESO=C1C=COC(C(OC(F)F)C(F)F)C1
InChIInChI=1S/C8H8F4O3/c9-7(10)6(15-8(11)12)5-3-4(13)1-2-14-5/h1-2,5-8H,3H2
InChIKeyZHNGCTZKNXXVBN-UHFFFAOYSA-N
MW228.14 g/mol
LogP1.73
Rot. Bonds4

About 2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one

2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one (PubChem CID 140605225) has the molecular formula C8H8F4O3 and a molecular weight of 228.14 g/mol. Its IUPAC name is 2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one
PubChem CID140605225
Molecular FormulaC8H8F4O3
Molecular Weight228.14 g/mol
Exact Mass228.04
IUPAC Name2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one
SMILESO=C1C=COC(C(OC(F)F)C(F)F)C1
InChIInChI=1S/C8H8F4O3/c9-7(10)6(15-8(11)12)5-3-4(13)1-2-14-5/h1-2,5-8H,3H2
InChIKeyZHNGCTZKNXXVBN-UHFFFAOYSA-N
XLogP1.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
(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-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one?
The IUPAC name of 2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one (CID 140605225) is 2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one?
The canonical SMILES for 2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one is O=C1C=COC(C(OC(F)F)C(F)F)C1.
What is the InChIKey of 2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one?
The InChIKey is ZHNGCTZKNXXVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4O3/c9-7(10)6(15-8(11)12)5-3-4(13)1-2-14-5/h1-2,5-8H,3H2.
What are the key properties of 2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one?
2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one has a molecular weight of 228.14 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 140605225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).