2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine

C7H2F10O — CID 20793131

IUPAC2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine
SMILESFC1=CC(C(F)(F)F)C(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C7H2F10O/c8-3-1-2(5(11,12)13)4(9,10)7(16,17)18-6(3,14)15/h1-2H
InChIKeyBOUGALIQDXWLME-UHFFFAOYSA-N
MW292.07 g/mol
LogP3.87
Rot. Bonds

About 2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine

2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine (PubChem CID 20793131) has the molecular formula C7H2F10O and a molecular weight of 292.07 g/mol. Its IUPAC name is 2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine.

Molecular Properties

Compound Name2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine
PubChem CID20793131
Molecular FormulaC7H2F10O
Molecular Weight292.07 g/mol
Exact Mass291.99
IUPAC Name2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine
SMILESFC1=CC(C(F)(F)F)C(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C7H2F10O/c8-3-1-2(5(11,12)13)4(9,10)7(16,17)18-6(3,14)15/h1-2H
InChIKeyBOUGALIQDXWLME-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 53.87
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 2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine?
The IUPAC name of 2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine (CID 20793131) is 2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine.
What is the SMILES notation for 2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine?
The canonical SMILES for 2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine is FC1=CC(C(F)(F)F)C(F)(F)C(F)(F)OC1(F)F.
What is the InChIKey of 2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine?
The InChIKey is BOUGALIQDXWLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F10O/c8-3-1-2(5(11,12)13)4(9,10)7(16,17)18-6(3,14)15/h1-2H.
What are the key properties of 2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine?
2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine has a molecular weight of 292.07 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,6,7,7-heptafluoro-4-(trifluoromethyl)-4H-oxepine is sourced from PubChem (CID 20793131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).