2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane

C6H5F7O — CID 4200740

IUPAC2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane
SMILESFC(F)(F)C(F)(CC1CO1)C(F)(F)F
InChIInChI=1S/C6H5F7O/c7-4(5(8,9)10,6(11,12)13)1-3-2-14-3/h3H,1-2H2
InChIKeyZCSHSWXXDMBWOP-UHFFFAOYSA-N
MW226.09 g/mol
LogP2.61
Rot. Bonds2

About 2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane

2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane (PubChem CID 4200740) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane.

Molecular Properties

Compound Name2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane
PubChem CID4200740
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane
SMILESFC(F)(F)C(F)(CC1CO1)C(F)(F)F
InChIInChI=1S/C6H5F7O/c7-4(5(8,9)10,6(11,12)13)1-3-2-14-3/h3H,1-2H2
InChIKeyZCSHSWXXDMBWOP-UHFFFAOYSA-N
XLogP2.61
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]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-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane?
The IUPAC name of 2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane (CID 4200740) is 2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane.
What is the SMILES notation for 2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane?
The canonical SMILES for 2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane is FC(F)(F)C(F)(CC1CO1)C(F)(F)F.
What is the InChIKey of 2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane?
The InChIKey is ZCSHSWXXDMBWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c7-4(5(8,9)10,6(11,12)13)1-3-2-14-3/h3H,1-2H2.
What are the key properties of 2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane?
2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane has a molecular weight of 226.09 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane is sourced from PubChem (CID 4200740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).