2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane

C6H3F9O — CID 19067258

IUPAC2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
SMILESCC1(C(F)(F)F)OC1(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9O/c1-2(5(10,11)12)4(9,16-2)3(7,8)6(13,14)15/h1H3
InChIKeyHTBODCHTRKAJSX-UHFFFAOYSA-N
MW262.07 g/mol
LogP3.20
Rot. Bonds1

About 2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane

2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane (PubChem CID 19067258) has the molecular formula C6H3F9O and a molecular weight of 262.07 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
PubChem CID19067258
Molecular FormulaC6H3F9O
Molecular Weight262.07 g/mol
Exact Mass262.00
IUPAC Name2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
SMILESCC1(C(F)(F)F)OC1(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9O/c1-2(5(10,11)12)4(9,16-2)3(7,8)6(13,14)15/h1H3
InChIKeyHTBODCHTRKAJSX-UHFFFAOYSA-N
XLogP3.20
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 53.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane?
The IUPAC name of 2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane (CID 19067258) is 2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane?
The canonical SMILES for 2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane is CC1(C(F)(F)F)OC1(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane?
The InChIKey is HTBODCHTRKAJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9O/c1-2(5(10,11)12)4(9,16-2)3(7,8)6(13,14)15/h1H3.
What are the key properties of 2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane?
2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane has a molecular weight of 262.07 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 19067258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).