4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane

C9H10F8O2 — CID 122595453

IUPAC4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(CF)C(F)(F)C1(C)OCC(F)(C(F)(F)F)O1
InChIInChI=1S/C9H10F8O2/c1-5(11,3-10)8(13,14)6(2)18-4-7(12,19-6)9(15,16)17/h3-4H2,1-2H3
InChIKeyTZUJHUQMAIPNCL-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.31
Rot. Bonds3

About 4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane

4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane (PubChem CID 122595453) has the molecular formula C9H10F8O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane
PubChem CID122595453
Molecular FormulaC9H10F8O2
Molecular Weight302.16 g/mol
Exact Mass302.06
IUPAC Name4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(CF)C(F)(F)C1(C)OCC(F)(C(F)(F)F)O1
InChIInChI=1S/C9H10F8O2/c1-5(11,3-10)8(13,14)6(2)18-4-7(12,19-6)9(15,16)17/h3-4H2,1-2H3
InChIKeyTZUJHUQMAIPNCL-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane with MolForge

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Related Compounds

3,3-Diethoxyperfluoro-2-methyloxolane
CID 129762031
3,3-Di-isopropoxyperfluoro-2-methyloxolane
CID 129762070
2-(Pentafluoroethyl)-2-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1,3-dioxolane
CID 13464242
2,2-Dimethyl-4-(pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 91740244
4-Ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 23382504
2,2,4-Trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane
CID 23553811
Difluoromethane;4,4-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane;fluoromethane;1,1,1,2-tetrafluoroethane
CID 53707492
2-Fluoro-4-methyl-5-propyl-2-(trifluoromethyl)-1,3-dioxolane
CID 57583082
4-Fluoro-4-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 58078354
4-Methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 58752948
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane
CID 67950645
2-Tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane
CID 71039348

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane (CID 122595453) is 4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane is CC(F)(CF)C(F)(F)C1(C)OCC(F)(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is TZUJHUQMAIPNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O2/c1-5(11,3-10)8(13,14)6(2)18-4-7(12,19-6)9(15,16)17/h3-4H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane?
4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 302.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 122595453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).