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

C10H10F6O5 — CID 153312356

IUPAC4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
SMILESCC(F)(F)C(F)(F)OCC(F)(F)COCc1coc(=O)o1
InChIInChI=1S/C10H10F6O5/c1-8(11,12)10(15,16)20-5-9(13,14)4-18-2-6-3-19-7(17)21-6/h3H,2,4-5H2,1H3
InChIKeyMAHIIBSYUFGMLN-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.65
Rot. Bonds8

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

4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one (PubChem CID 153312356) has the molecular formula C10H10F6O5 and a molecular weight of 324.17 g/mol. Its IUPAC name is 4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
PubChem CID153312356
Molecular FormulaC10H10F6O5
Molecular Weight324.17 g/mol
Exact Mass324.04
IUPAC Name4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
SMILESCC(F)(F)C(F)(F)OCC(F)(F)COCc1coc(=O)o1
InChIInChI=1S/C10H10F6O5/c1-8(11,12)10(15,16)20-5-9(13,14)4-18-2-6-3-19-7(17)21-6/h3H,2,4-5H2,1H3
InChIKeyMAHIIBSYUFGMLN-UHFFFAOYSA-N
XLogP2.65
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one with MolForge

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Related Compounds

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-[[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-[[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-(2,2-Difluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312370
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

Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
The IUPAC name of 4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one (CID 153312356) is 4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one is CC(F)(F)C(F)(F)OCC(F)(F)COCc1coc(=O)o1.
What is the InChIKey of 4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
The InChIKey is MAHIIBSYUFGMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O5/c1-8(11,12)10(15,16)20-5-9(13,14)4-18-2-6-3-19-7(17)21-6/h3H,2,4-5H2,1H3.
What are the key properties of 4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one has a molecular weight of 324.17 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one is sourced from PubChem (CID 153312356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).