4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one

C7H6F4O4 — CID 153312354

IUPAC4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one
SMILESCC(F)(F)C(F)(F)OCc1coc(=O)o1
InChIInChI=1S/C7H6F4O4/c1-6(8,9)7(10,11)14-3-4-2-13-5(12)15-4/h2H,3H2,1H3
InChIKeyNXWMNWVMJDNHAZ-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.00
Rot. Bonds4

About 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one

4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one (PubChem CID 153312354) has the molecular formula C7H6F4O4 and a molecular weight of 230.11 g/mol. Its IUPAC name is 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one
PubChem CID153312354
Molecular FormulaC7H6F4O4
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one
SMILESCC(F)(F)C(F)(F)OCc1coc(=O)o1
InChIInChI=1S/C7H6F4O4/c1-6(8,9)7(10,11)14-3-4-2-13-5(12)15-4/h2H,3H2,1H3
InChIKeyNXWMNWVMJDNHAZ-UHFFFAOYSA-N
XLogP2.00
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-5-[(trifluoromethoxy)methyl]-1,3-dioxol-2-one
CID 142753464
2,2-Bis(trifluoromethyl)-4-methylene-1,3-dioxolane
CID 9991084
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-(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-[[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

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one (CID 153312354) is 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one is CC(F)(F)C(F)(F)OCc1coc(=O)o1.
What is the InChIKey of 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one?
The InChIKey is NXWMNWVMJDNHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4O4/c1-6(8,9)7(10,11)14-3-4-2-13-5(12)15-4/h2H,3H2,1H3.
What are the key properties of 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one?
4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one has a molecular weight of 230.11 g/mol, XLogP of 2.00, 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-tetrafluoropropoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 153312354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).