4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one

C10H8F8O5 — CID 153312365

IUPAC4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
SMILESO=c1occ(COCC(F)(OCC(F)(F)C(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H8F8O5/c11-6(12)8(13,14)3-22-9(15,10(16,17)18)4-20-1-5-2-21-7(19)23-5/h2,6H,1,3-4H2
InChIKeyXQSFDYNHBDTAOT-UHFFFAOYSA-N
MW360.15 g/mol
LogP2.89
Rot. Bonds8

About 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one

4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one (PubChem CID 153312365) has the molecular formula C10H8F8O5 and a molecular weight of 360.15 g/mol. Its IUPAC name is 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
PubChem CID153312365
Molecular FormulaC10H8F8O5
Molecular Weight360.15 g/mol
Exact Mass360.02
IUPAC Name4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
SMILESO=c1occ(COCC(F)(OCC(F)(F)C(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H8F8O5/c11-6(12)8(13,14)3-22-9(15,10(16,17)18)4-20-1-5-2-21-7(19)23-5/h2,6H,1,3-4H2
InChIKeyXQSFDYNHBDTAOT-UHFFFAOYSA-N
XLogP2.89
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-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-Fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667804
4-(2-Fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
CID 138667863
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-(3,3-Difluorobutoxymethyl)-1,3-dioxol-2-one
CID 153312352
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-[[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one
CID 153312357
4-(2,2,3,3,4,4,5,5-Octafluoropentoxymethyl)-1,3-dioxol-2-one
CID 153312364
4-(3,3,3-Trifluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312367

Frequently Asked Questions

What is the IUPAC name of 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
The IUPAC name of 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one (CID 153312365) is 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one is O=c1occ(COCC(F)(OCC(F)(F)C(F)F)C(F)(F)F)o1.
What is the InChIKey of 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
The InChIKey is XQSFDYNHBDTAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F8O5/c11-6(12)8(13,14)3-22-9(15,10(16,17)18)4-20-1-5-2-21-7(19)23-5/h2,6H,1,3-4H2.
What are the key properties of 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one has a molecular weight of 360.15 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one is sourced from PubChem (CID 153312365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).