4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one

C8H7F7O3 — CID 118189689

IUPAC4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(CCC(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C8H7F7O3/c9-6(7(10,11)12,8(13,14)15)2-1-4-3-17-5(16)18-4/h4H,1-3H2
InChIKeyRGGULUAIOXSPKS-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.13
Rot. Bonds3

About 4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one

4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one (PubChem CID 118189689) has the molecular formula C8H7F7O3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one
PubChem CID118189689
Molecular FormulaC8H7F7O3
Molecular Weight284.13 g/mol
Exact Mass284.03
IUPAC Name4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(CCC(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C8H7F7O3/c9-6(7(10,11)12,8(13,14)15)2-1-4-3-17-5(16)18-4/h4H,1-3H2
InChIKeyRGGULUAIOXSPKS-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,3,3,4,4,5,5,5-Nonafluoropentyl)-1,3-dioxolan-2-one
CID 57645377
4-(Nonafluorobutyl)-1,3-dioxolan-2-one
CID 112758214
4-[2,3,3,3-Tetrafluoro-2-(trifluoromethyl)propyl]-1,3-dioxolane-2-one
CID 14008835
4-(2-Ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one
CID 21263529
4-[4,4,4-Trifluoro-3,3-bis(trifluoromethyl)butyl]-1,3-dioxolan-2-one
CID 118191710
(2-Oxo-1,3-dioxolan-4-yl)methyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl carbonate
CID 122609747
4-(1,1,2,2,3,3,4,4-Octafluorobutyl)-1,3-dioxolan-2-one
CID 130342343
4-[4,4,4-Trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one
CID 134268687
4-(2,2,3,3,4,4,4-Heptafluorobutyl)-1,3-dioxolan-2-one
CID 138679201
4-[1,1,2,3,3,3-Hexafluoro-2-(fluoromethyl)propyl]-1,3-dioxolan-2-one
CID 152631750
4-(2,3,3,3-Tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one
CID 165064595
4-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one
CID 167266680

Frequently Asked Questions

What is the IUPAC name of 4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one (CID 118189689) is 4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one is O=C1OCC(CCC(F)(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one?
The InChIKey is RGGULUAIOXSPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F7O3/c9-6(7(10,11)12,8(13,14)15)2-1-4-3-17-5(16)18-4/h4H,1-3H2.
What are the key properties of 4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one?
4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one has a molecular weight of 284.13 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 118189689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).