3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran

C8HF11O — CID 87197837

IUPAC3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran
SMILESFC1=C(F)C(F)=C(F)C(C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8HF11O/c9-1-2(10)4(20-5(12)3(1)11)6(13,14)7(15,16)8(17,18)19/h4H
InChIKeyHIUXWQOXLFQXCM-UHFFFAOYSA-N
MW322.07 g/mol
LogP4.48
Rot. Bonds2

About 3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran

3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran (PubChem CID 87197837) has the molecular formula C8HF11O and a molecular weight of 322.07 g/mol. Its IUPAC name is 3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran.

Molecular Properties

Compound Name3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran
PubChem CID87197837
Molecular FormulaC8HF11O
Molecular Weight322.07 g/mol
Exact Mass321.99
IUPAC Name3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran
SMILESFC1=C(F)C(F)=C(F)C(C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8HF11O/c9-1-2(10)4(20-5(12)3(1)11)6(13,14)7(15,16)8(17,18)19/h4H
InChIKeyHIUXWQOXLFQXCM-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.07
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran?
The IUPAC name of 3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran (CID 87197837) is 3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran.
What is the SMILES notation for 3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran?
The canonical SMILES for 3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran is FC1=C(F)C(F)=C(F)C(C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran?
The InChIKey is HIUXWQOXLFQXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF11O/c9-1-2(10)4(20-5(12)3(1)11)6(13,14)7(15,16)8(17,18)19/h4H.
What are the key properties of 3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran?
3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran has a molecular weight of 322.07 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran is sourced from PubChem (CID 87197837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).