2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane

C9H10F8O — CID 19067257

IUPAC2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane
SMILESCC(C)C1(C(C)(F)C(F)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C9H10F8O/c1-4(2)6(5(3,10)8(12,13)14)7(11,18-6)9(15,16)17/h4H,1-3H3
InChIKeyHIICUADOOFKYRO-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.93
Rot. Bonds2

About 2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane

2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane (PubChem CID 19067257) has the molecular formula C9H10F8O and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane
PubChem CID19067257
Molecular FormulaC9H10F8O
Molecular Weight286.16 g/mol
Exact Mass286.06
IUPAC Name2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane
SMILESCC(C)C1(C(C)(F)C(F)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C9H10F8O/c1-4(2)6(5(3,10)8(12,13)14)7(11,18-6)9(15,16)17/h4H,1-3H3
InChIKeyHIICUADOOFKYRO-UHFFFAOYSA-N
XLogP3.93
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(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-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane (CID 19067257) is 2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane is CC(C)C1(C(C)(F)C(F)(F)F)OC1(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane?
The InChIKey is HIICUADOOFKYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O/c1-4(2)6(5(3,10)8(12,13)14)7(11,18-6)9(15,16)17/h4H,1-3H3.
What are the key properties of 2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane?
2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane has a molecular weight of 286.16 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 19067257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).