(2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane

C5HClF8O2 — CID 23237419

IUPAC(2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESF[C@H]1O[C@@](C(F)(F)F)(C(F)(F)Cl)OC1(F)F
InChIInChI=1S/C5HClF8O2/c6-4(10,11)3(5(12,13)14)15-1(7)2(8,9)16-3/h1H/t1-,3-/m0/s1
InChIKeyRUSIMSXJHBGOMB-VRKGVYIXSA-N
MW280.50 g/mol
LogP3.01
Rot. Bonds1

About (2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane

(2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 23237419) has the molecular formula C5HClF8O2 and a molecular weight of 280.50 g/mol. Its IUPAC name is (2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID23237419
Molecular FormulaC5HClF8O2
Molecular Weight280.50 g/mol
Exact Mass279.95
IUPAC Name(2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESF[C@H]1O[C@@](C(F)(F)F)(C(F)(F)Cl)OC1(F)F
InChIInChI=1S/C5HClF8O2/c6-4(10,11)3(5(12,13)14)15-1(7)2(8,9)16-3/h1H/t1-,3-/m0/s1
InChIKeyRUSIMSXJHBGOMB-VRKGVYIXSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane with MolForge

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Related Compounds

4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 90243315
2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane
CID 23262814
2,2,3,5,6,6-hexafluoro-1,4-dioxane
CID 74024068
2,2-bis[chloro(difluoro)methyl]-4-(chloromethyl)-1,3-dioxolane
CID 154101123
2-[2,2-bis[chloro(difluoro)methyl]-1,3-dioxolan-4-yl]ethanol
CID 21395830
2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane
CID 151305254
4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 15008333
[[4,4-difluoro-2,5-bis(trifluoromethyl)-1,3-dioxolan-2-yl]-difluoromethyl] 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate
CID 89224575
4-fluoro-2,2-bis(trifluoromethyl)oxetane
CID 14144890
4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
CID 170230565
2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane
CID 14045703
(2R,3S)-2,3-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxirane
CID 98115471

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane (CID 23237419) is (2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane is F[C@H]1O[C@@](C(F)(F)F)(C(F)(F)Cl)OC1(F)F.
What is the InChIKey of (2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is RUSIMSXJHBGOMB-VRKGVYIXSA-N. The full InChI is InChI=1S/C5HClF8O2/c6-4(10,11)3(5(12,13)14)15-1(7)2(8,9)16-3/h1H/t1-,3-/m0/s1.
What are the key properties of (2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane?
(2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 280.50 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 23237419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).