4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one

C8H7F5O4 — CID 138667820

IUPAC4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one
SMILESC=CCOC1(C(F)(F)C(F)(F)F)COC(=O)O1
InChIInChI=1S/C8H7F5O4/c1-2-3-16-6(4-15-5(14)17-6)7(9,10)8(11,12)13/h2H,1,3-4H2
InChIKeyNSOADIFFJXHMBK-UHFFFAOYSA-N
MW262.13 g/mol
LogP2.25
Rot. Bonds4

About 4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one

4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one (PubChem CID 138667820) has the molecular formula C8H7F5O4 and a molecular weight of 262.13 g/mol. Its IUPAC name is 4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one
PubChem CID138667820
Molecular FormulaC8H7F5O4
Molecular Weight262.13 g/mol
Exact Mass262.03
IUPAC Name4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one
SMILESC=CCOC1(C(F)(F)C(F)(F)F)COC(=O)O1
InChIInChI=1S/C8H7F5O4/c1-2-3-16-6(4-15-5(14)17-6)7(9,10)8(11,12)13/h2H,1,3-4H2
InChIKeyNSOADIFFJXHMBK-UHFFFAOYSA-N
XLogP2.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-(2-Fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667804
4-Prop-2-enoxy-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667806
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-(3,3-Difluoroprop-2-enoxy)-4-ethyl-1,3-dioxolan-2-one
CID 138667832
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-(3,3-Difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one
CID 138668560
4,5-dimethyl-4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 142556431
4,5-dimethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 142556434
4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 147307453

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one?
The IUPAC name of 4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one (CID 138667820) is 4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one?
The canonical SMILES for 4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one is C=CCOC1(C(F)(F)C(F)(F)F)COC(=O)O1.
What is the InChIKey of 4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one?
The InChIKey is NSOADIFFJXHMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5O4/c1-2-3-16-6(4-15-5(14)17-6)7(9,10)8(11,12)13/h2H,1,3-4H2.
What are the key properties of 4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one?
4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one has a molecular weight of 262.13 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,2-pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one is sourced from PubChem (CID 138667820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).