2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane

C7H8F6O — CID 18702689

IUPAC2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane
SMILESCC(F)(C(F)(F)F)C(F)(F)CC1CO1
InChIInChI=1S/C7H8F6O/c1-5(8,7(11,12)13)6(9,10)2-4-3-14-4/h4H,2-3H2,1H3
InChIKeyKTPCMWVAKLBPNT-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.70
Rot. Bonds3

About 2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane

2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane (PubChem CID 18702689) has the molecular formula C7H8F6O and a molecular weight of 222.13 g/mol. Its IUPAC name is 2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane.

Molecular Properties

Compound Name2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane
PubChem CID18702689
Molecular FormulaC7H8F6O
Molecular Weight222.13 g/mol
Exact Mass222.05
IUPAC Name2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane
SMILESCC(F)(C(F)(F)F)C(F)(F)CC1CO1
InChIInChI=1S/C7H8F6O/c1-5(8,7(11,12)13)6(9,10)2-4-3-14-4/h4H,2-3H2,1H3
InChIKeyKTPCMWVAKLBPNT-UHFFFAOYSA-N
XLogP2.70
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Perfluorobutyl)methyloxirane
CID 89279490
2-Methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane
CID 12561590
2-[2,3,3,4,4,4-Hexafluoro-2-(trifluoromethyl)butyl]oxirane
CID 2775048
2-(2,2,3,3,4,5,5,5-Octafluoro-4-methylpentyl)oxirane
CID 18318782
2-(2,3,3,3-Tetrafluoro-2-methylpropyl)oxirane
CID 18702695
2-(2,2,3,4,4,5,5,5-Octafluoro-3-methylpentyl)oxirane
CID 19707550
2-(2,2,3,4,4,5,5,6,6,7,7,7-Dodecafluoro-3-methylheptyl)oxirane
CID 19707565
2-(2,2,3,3-Tetrafluorobutyl)oxirane
CID 53698014
2-(3,3,3-Trifluoro-2-methylpropyl)oxirane
CID 53743537
2-[2,2,3,4,4,4-Hexafluoro-3-(trifluoromethyl)butyl]oxirane
CID 54131184
2-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]oxirane
CID 58107265
2-(3-Fluoro-3-methylbutyl)oxirane
CID 58350254

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane?
The IUPAC name of 2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane (CID 18702689) is 2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane.
What is the SMILES notation for 2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane?
The canonical SMILES for 2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane is CC(F)(C(F)(F)F)C(F)(F)CC1CO1.
What is the InChIKey of 2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane?
The InChIKey is KTPCMWVAKLBPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O/c1-5(8,7(11,12)13)6(9,10)2-4-3-14-4/h4H,2-3H2,1H3.
What are the key properties of 2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane?
2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane has a molecular weight of 222.13 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,4,4,4-hexafluoro-3-methylbutyl)oxirane is sourced from PubChem (CID 18702689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).