2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane

C8H9F7O3 — CID 18710860

IUPAC2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane
SMILESCOC1(C)OC(F)(F)OC1(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H9F7O3/c1-4(9,10)6(11,12)7(13)5(2,16-3)17-8(14,15)18-7/h1-3H3
InChIKeyDXVXUDCYKHSWPE-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.90
Rot. Bonds3

About 2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane

2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane (PubChem CID 18710860) has the molecular formula C8H9F7O3 and a molecular weight of 286.14 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane
PubChem CID18710860
Molecular FormulaC8H9F7O3
Molecular Weight286.14 g/mol
Exact Mass286.04
IUPAC Name2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane
SMILESCOC1(C)OC(F)(F)OC1(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H9F7O3/c1-4(9,10)6(11,12)7(13)5(2,16-3)17-8(14,15)18-7/h1-3H3
InChIKeyDXVXUDCYKHSWPE-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-Difluoro-4-propyl-1,3-dioxolane
CID 18923918
3,3-Diethoxyperfluoro-2-methyloxolane
CID 129762031
3,3-Di-isopropoxyperfluoro-2-methyloxolane
CID 129762070
4,5-Dipropyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 549956
1,3-Dioxolane, 4,5-dipropyl-2,2-bis(trifluoromethyl)-, cis-
CID 21731540
1,3-Dioxolane, 4,5-dipropyl-2,2-bis(trifluoromethyl)-, trans-
CID 21731543
2,2-Dimethyl-4-(pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 91740244
2-[(2,2,3,3,4,4,5,5-Octafluoropentyl)oxy]-1,3-dioxolane
CID 2780753
4,5-Difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 18683775
2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane
CID 18710858
2,2,4-Trifluoro-4-propyl-1,3-dioxolane
CID 18737949
6-(2,2-Difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane
CID 20681742

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane?
The IUPAC name of 2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane (CID 18710860) is 2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane?
The canonical SMILES for 2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane is COC1(C)OC(F)(F)OC1(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane?
The InChIKey is DXVXUDCYKHSWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7O3/c1-4(9,10)6(11,12)7(13)5(2,16-3)17-8(14,15)18-7/h1-3H3.
What are the key properties of 2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane?
2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane has a molecular weight of 286.14 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane is sourced from PubChem (CID 18710860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).