4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one

C8H3F9O4 — CID 153312357

IUPAC4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one
SMILESO=c1occ(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C8H3F9O4/c9-6(10,11)5(7(12,13)14,8(15,16)17)20-2-3-1-19-4(18)21-3/h1H,2H2
InChIKeyOVBZSQHVGNGCQA-UHFFFAOYSA-N
MW334.09 g/mol
LogP3.18
Rot. Bonds3

About 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one

4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one (PubChem CID 153312357) has the molecular formula C8H3F9O4 and a molecular weight of 334.09 g/mol. Its IUPAC name is 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one
PubChem CID153312357
Molecular FormulaC8H3F9O4
Molecular Weight334.09 g/mol
Exact Mass333.99
IUPAC Name4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one
SMILESO=c1occ(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C8H3F9O4/c9-6(10,11)5(7(12,13)14,8(15,16)17)20-2-3-1-19-4(18)21-3/h1H,2H2
InChIKeyOVBZSQHVGNGCQA-UHFFFAOYSA-N
XLogP3.18
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.09
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one with MolForge

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Related Compounds

(2-Oxo-1,3-dioxol-4-yl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 118000401
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxol-2-one
CID 139390777
4-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3-dioxol-2-one
CID 149735901
4-[[1,1,2,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312351
4-(1,1,2,2-Tetrafluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312354
4-[[2,2-Difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312356
4-(2,2,3,3,4,4,5,5-Octafluoropentoxymethyl)-1,3-dioxol-2-one
CID 153312364
4-[[2,3,3,3-Tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312365
4-(3,3,3-Trifluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312367
4-[[2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312372
4-(Difluoromethoxymethyl)-1,3-dioxol-2-one
CID 153312380
4-[[2,3,3,3-Tetrafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312381

Frequently Asked Questions

What is the IUPAC name of 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one?
The IUPAC name of 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one (CID 153312357) is 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one is O=c1occ(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)o1.
What is the InChIKey of 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one?
The InChIKey is OVBZSQHVGNGCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F9O4/c9-6(10,11)5(7(12,13)14,8(15,16)17)20-2-3-1-19-4(18)21-3/h1H,2H2.
What are the key properties of 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one?
4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one has a molecular weight of 334.09 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one is sourced from PubChem (CID 153312357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).