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

C9F18O — CID 13331366

IUPAC2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)OC1(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18O/c10-1(6(16,17)18,7(19,20)21)5(15)2(28-5,8(22,23)24)3(11,12)4(13,14)9(25,26)27
InChIKeyGPRVWJGRCVGAQO-UHFFFAOYSA-N
MW466.06 g/mol
LogP5.65
Rot. Bonds3

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

2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane (PubChem CID 13331366) has the molecular formula C9F18O and a molecular weight of 466.06 g/mol. Its IUPAC name is 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane
PubChem CID13331366
Molecular FormulaC9F18O
Molecular Weight466.06 g/mol
Exact Mass465.97
IUPAC Name2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)OC1(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18O/c10-1(6(16,17)18,7(19,20)21)5(15)2(28-5,8(22,23)24)3(11,12)4(13,14)9(25,26)27
InChIKeyGPRVWJGRCVGAQO-UHFFFAOYSA-N
XLogP5.65
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.06
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane?
The IUPAC name of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane (CID 13331366) is 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane?
The canonical SMILES for 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane is FC(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)OC1(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane?
The InChIKey is GPRVWJGRCVGAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18O/c10-1(6(16,17)18,7(19,20)21)5(15)2(28-5,8(22,23)24)3(11,12)4(13,14)9(25,26)27.
What are the key properties of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane?
2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane has a molecular weight of 466.06 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 13331366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).