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

C10H5F11O5 — CID 153312372

IUPAC4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
SMILESO=c1occ(COCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H5F11O5/c11-6(8(14,15)16,3-23-1-4-2-24-5(22)25-4)26-10(20,21)7(12,13)9(17,18)19/h2H,1,3H2
InChIKeyBNEZRKJFRNXRGQ-UHFFFAOYSA-N
MW414.12 g/mol
LogP3.78
Rot. Bonds7

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

4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one (PubChem CID 153312372) has the molecular formula C10H5F11O5 and a molecular weight of 414.12 g/mol. Its IUPAC name is 4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
PubChem CID153312372
Molecular FormulaC10H5F11O5
Molecular Weight414.12 g/mol
Exact Mass414.00
IUPAC Name4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
SMILESO=c1occ(COCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H5F11O5/c11-6(8(14,15)16,3-23-1-4-2-24-5(22)25-4)26-10(20,21)7(12,13)9(17,18)19/h2H,1,3H2
InChIKeyBNEZRKJFRNXRGQ-UHFFFAOYSA-N
XLogP3.78
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 53.78
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-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one with MolForge

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Related Compounds

2,2-Bis(trifluoromethyl)-4-methylene-1,3-dioxolane
CID 9991084
(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-(Trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667809
4-(3,3-Difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667810
4-(1,1,2,2,2-Pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one
CID 138667820
4-(3,3-Difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
CID 138667860
4-(2-Fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
CID 138667863
4-(1,1,2,2,2-Pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667864
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

Frequently Asked Questions

What is the IUPAC name of 4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
The IUPAC name of 4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one (CID 153312372) is 4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one is O=c1occ(COCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)o1.
What is the InChIKey of 4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
The InChIKey is BNEZRKJFRNXRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F11O5/c11-6(8(14,15)16,3-23-1-4-2-24-5(22)25-4)26-10(20,21)7(12,13)9(17,18)19/h2H,1,3H2.
What are the key properties of 4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?
4-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one has a molecular weight of 414.12 g/mol, XLogP of 3.78, 7 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-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one is sourced from PubChem (CID 153312372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).