2,2-bis(trifluoromethyl)oxirane

C4H2F6O — CID 11469419

IUPAC2,2-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(C(F)(F)F)CO1
InChIInChI=1S/C4H2F6O/c5-3(6,7)2(1-11-2)4(8,9)10/h1H2
InChIKeyNYZSKEULTVZUAW-UHFFFAOYSA-N
MW180.05 g/mol
LogP1.88
Rot. Bonds

About 2,2-bis(trifluoromethyl)oxirane

2,2-bis(trifluoromethyl)oxirane (PubChem CID 11469419) has the molecular formula C4H2F6O and a molecular weight of 180.05 g/mol. Its IUPAC name is 2,2-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2,2-bis(trifluoromethyl)oxirane
PubChem CID11469419
Molecular FormulaC4H2F6O
Molecular Weight180.05 g/mol
Exact Mass180.00
IUPAC Name2,2-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(C(F)(F)F)CO1
InChIInChI=1S/C4H2F6O/c5-3(6,7)2(1-11-2)4(8,9)10/h1H2
InChIKeyNYZSKEULTVZUAW-UHFFFAOYSA-N
XLogP1.88
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 51.88
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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Related Compounds

2-Fluoro-2-(trifluoromethyl)oxirane
CID 88593725
2-Methyl-2-(trifluoromethyl)oxirane
CID 13620760
2-(Difluoromethyl)-2-methyloxirane
CID 137838565
(2S)-2-methyl-2-(trifluoromethyl)oxirane
CID 11815866
2-(Difluoromethyl)-2-(trifluoromethyl)oxirane
CID 23264240
2,2-Difluoro-3-(fluoromethyl)-3-(trifluoromethyl)oxirane
CID 21888608
2-Pentafluoroethyl-2-trifluoromethyloxirane
CID 85990121
(R)-2-methyl-2-(trifluoromethyl)oxirane
CID 86702279
3-Fluoro-2,2-bis(trifluoromethyl)oxirane
CID 88924925
2,3-Difluoro-2-(trifluoromethyl)oxirane
CID 88924937
2,2-Difluoro-3,3-bis(fluoromethyl)oxirane
CID 89191279
2,2-Bis(fluoromethyl)oxirane
CID 89889063

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(trifluoromethyl)oxirane?
The IUPAC name of 2,2-bis(trifluoromethyl)oxirane (CID 11469419) is 2,2-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2,2-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2,2-bis(trifluoromethyl)oxirane is FC(F)(F)C1(C(F)(F)F)CO1.
What is the InChIKey of 2,2-bis(trifluoromethyl)oxirane?
The InChIKey is NYZSKEULTVZUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O/c5-3(6,7)2(1-11-2)4(8,9)10/h1H2.
What are the key properties of 2,2-bis(trifluoromethyl)oxirane?
2,2-bis(trifluoromethyl)oxirane has a molecular weight of 180.05 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 11469419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).