2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane

C6H2F10O — CID 88593864

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1OC1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F10O/c7-3(5(11,12)13,6(14,15)16)1-2(17-1)4(8,9)10/h1-2H
InChIKeyHDBGQROWDAYSNL-UHFFFAOYSA-N
MW280.06 g/mol
LogP3.15
Rot. Bonds1

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane (PubChem CID 88593864) has the molecular formula C6H2F10O and a molecular weight of 280.06 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane
PubChem CID88593864
Molecular FormulaC6H2F10O
Molecular Weight280.06 g/mol
Exact Mass279.99
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1OC1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F10O/c7-3(5(11,12)13,6(14,15)16)1-2(17-1)4(8,9)10/h1-2H
InChIKeyHDBGQROWDAYSNL-UHFFFAOYSA-N
XLogP3.15
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane (CID 88593864) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane is FC(F)(F)C1OC1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane?
The InChIKey is HDBGQROWDAYSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F10O/c7-3(5(11,12)13,6(14,15)16)1-2(17-1)4(8,9)10/h1-2H.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane has a molecular weight of 280.06 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 88593864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).