2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane

C6H6F6O — CID 87246902

IUPAC2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane
SMILESCC1(C(F)(F)F)OC1(C)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-3(5(7,8)9)4(2,13-3)6(10,11)12/h1-2H3
InChIKeyPAFDSBNDTBTCFV-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.66
Rot. Bonds

About 2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane

2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane (PubChem CID 87246902) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane
PubChem CID87246902
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane
SMILESCC1(C(F)(F)F)OC1(C)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-3(5(7,8)9)4(2,13-3)6(10,11)12/h1-2H3
InChIKeyPAFDSBNDTBTCFV-UHFFFAOYSA-N
XLogP2.66
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.66
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 2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane?
The IUPAC name of 2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane (CID 87246902) is 2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane is CC1(C(F)(F)F)OC1(C)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane?
The InChIKey is PAFDSBNDTBTCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-3(5(7,8)9)4(2,13-3)6(10,11)12/h1-2H3.
What are the key properties of 2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane?
2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane has a molecular weight of 208.10 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 87246902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).