2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane

C5HCl2F7O — CID 23262814

IUPAC2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane
SMILESFC1C(F)(F)OC1(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C5HCl2F7O/c6-4(11,12)2(5(7,13)14)1(8)3(9,10)15-2/h1H
InChIKeyOMASCUHTNSOPQK-UHFFFAOYSA-N
MW280.95 g/mol
LogP3.35
Rot. Bonds2

About 2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane

2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane (PubChem CID 23262814) has the molecular formula C5HCl2F7O and a molecular weight of 280.95 g/mol. Its IUPAC name is 2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane.

Molecular Properties

Compound Name2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane
PubChem CID23262814
Molecular FormulaC5HCl2F7O
Molecular Weight280.95 g/mol
Exact Mass279.93
IUPAC Name2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane
SMILESFC1C(F)(F)OC1(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C5HCl2F7O/c6-4(11,12)2(5(7,13)14)1(8)3(9,10)15-2/h1H
InChIKeyOMASCUHTNSOPQK-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 23237419
2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane
CID 151305254
2,2,3,3,4,5,5,6,6-nonafluorooxane
CID 73057419
2,2,3,5,6,6-hexafluoro-1,4-dioxane
CID 74024068
chloro(trifluoro)methane;ethane
CID 23131533
7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine
CID 154154030
2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane
CID 86219176
(2S)-2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)-2,3,3-trifluorooxirane
CID 98114912
3,3-bis[chloro(difluoro)methyl]diazirine
CID 131851692
4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
CID 170230565
2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane
CID 14045703
4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 90243315

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane?
The IUPAC name of 2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane (CID 23262814) is 2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane.
What is the SMILES notation for 2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane?
The canonical SMILES for 2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane is FC1C(F)(F)OC1(C(F)(F)Cl)C(F)(F)Cl.
What is the InChIKey of 2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane?
The InChIKey is OMASCUHTNSOPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2F7O/c6-4(11,12)2(5(7,13)14)1(8)3(9,10)15-2/h1H.
What are the key properties of 2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane?
2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane has a molecular weight of 280.95 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane is sourced from PubChem (CID 23262814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).