2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane

C6H7F5O — CID 151056856

IUPAC2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCC1OC1(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O/c1-3-4(2,12-3)5(7,8)6(9,10)11/h3H,1-2H3
InChIKeyMFHYGMALXJEIKO-UHFFFAOYSA-N
MW190.11 g/mol
LogP2.36
Rot. Bonds1

About 2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane

2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane (PubChem CID 151056856) has the molecular formula C6H7F5O and a molecular weight of 190.11 g/mol. Its IUPAC name is 2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane.

Molecular Properties

Compound Name2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
PubChem CID151056856
Molecular FormulaC6H7F5O
Molecular Weight190.11 g/mol
Exact Mass190.04
IUPAC Name2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCC1OC1(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O/c1-3-4(2,12-3)5(7,8)6(9,10)11/h3H,1-2H3
InChIKeyMFHYGMALXJEIKO-UHFFFAOYSA-N
XLogP2.36
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 52.36
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 2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The IUPAC name of 2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane (CID 151056856) is 2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane.
What is the SMILES notation for 2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The canonical SMILES for 2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane is CC1OC1(C)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The InChIKey is MFHYGMALXJEIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O/c1-3-4(2,12-3)5(7,8)6(9,10)11/h3H,1-2H3.
What are the key properties of 2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane has a molecular weight of 190.11 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane is sourced from PubChem (CID 151056856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).