2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane

C4ClF7O — CID 14045703

IUPAC2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(F)OC1(Cl)C(F)(F)F
InChIInChI=1S/C4ClF7O/c5-1(3(7,8)9)2(6,13-1)4(10,11)12
InChIKeyGIXAFCYAWBCQAA-UHFFFAOYSA-N
MW232.48 g/mol
LogP2.74
Rot. Bonds

About 2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane

2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane (PubChem CID 14045703) has the molecular formula C4ClF7O and a molecular weight of 232.48 g/mol. Its IUPAC name is 2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane
PubChem CID14045703
Molecular FormulaC4ClF7O
Molecular Weight232.48 g/mol
Exact Mass231.95
IUPAC Name2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(F)OC1(Cl)C(F)(F)F
InChIInChI=1S/C4ClF7O/c5-1(3(7,8)9)2(6,13-1)4(10,11)12
InChIKeyGIXAFCYAWBCQAA-UHFFFAOYSA-N
XLogP2.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane
CID 101028528
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
2,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
CID 12520925
(2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane
CID 101028523
sulfuric acid;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 87965023
2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
CID 71396792
4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid
CID 86017593
2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 170016088
butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 174909301
potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate
CID 140580119
2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine
CID 142664628
2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane
CID 151305254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane?
The IUPAC name of 2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane (CID 14045703) is 2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane is FC(F)(F)C1(F)OC1(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane?
The InChIKey is GIXAFCYAWBCQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF7O/c5-1(3(7,8)9)2(6,13-1)4(10,11)12.
What are the key properties of 2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane?
2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane has a molecular weight of 232.48 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 14045703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).