2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran

C6F10O2 — CID 87774570

IUPAC2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran
SMILESFC1=C(OC(F)(F)F)C(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C6F10O2/c7-1-2(17-6(14,15)16)3(8,9)5(12,13)18-4(1,10)11
InChIKeyMBKJZGORWXFYIC-UHFFFAOYSA-N
MW294.04 g/mol
LogP3.56
Rot. Bonds1

About 2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran

2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran (PubChem CID 87774570) has the molecular formula C6F10O2 and a molecular weight of 294.04 g/mol. Its IUPAC name is 2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran.

Molecular Properties

Compound Name2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran
PubChem CID87774570
Molecular FormulaC6F10O2
Molecular Weight294.04 g/mol
Exact Mass293.97
IUPAC Name2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran
SMILESFC1=C(OC(F)(F)F)C(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C6F10O2/c7-1-2(17-6(14,15)16)3(8,9)5(12,13)18-4(1,10)11
InChIKeyMBKJZGORWXFYIC-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 53.56
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

1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene
CID 134245341
2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine
CID 20793131
(1,2,3,4,4-pentafluorocyclobut-2-en-1-yl) trifluoromethanesulfonate
CID 10851163
3,3,4,5-tetrafluoro-2,2-bis(trifluoromethyl)furan
CID 139601556
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
methane;2,2,3,3-tetrafluorooxirane
CID 174885785
1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 11212
ethane;2-[2-fluoro-4-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142362387
4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine
CID 99770322
1,1,3,3,4,5,6,7-octafluoro-2-benzofuran
CID 14195971
2,3-difluoro-2-(trifluoromethyl)azirine
CID 6420998
1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
CID 18994644

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran?
The IUPAC name of 2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran (CID 87774570) is 2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran.
What is the SMILES notation for 2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran?
The canonical SMILES for 2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran is FC1=C(OC(F)(F)F)C(F)(F)C(F)(F)OC1(F)F.
What is the InChIKey of 2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran?
The InChIKey is MBKJZGORWXFYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O2/c7-1-2(17-6(14,15)16)3(8,9)5(12,13)18-4(1,10)11.
What are the key properties of 2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran?
2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran has a molecular weight of 294.04 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,6,6-heptafluoro-4-(trifluoromethoxy)pyran is sourced from PubChem (CID 87774570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).