5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one

C10H12F6O3 — CID 22629581

IUPAC5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
SMILESCC(C)(C)CC1OC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C10H12F6O3/c1-7(2,3)4-5-6(17)19-8(18-5,9(11,12)13)10(14,15)16/h5H,4H2,1-3H3
InChIKeyFRHSRLWFQSLATR-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.19
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one

5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one (PubChem CID 22629581) has the molecular formula C10H12F6O3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
PubChem CID22629581
Molecular FormulaC10H12F6O3
Molecular Weight294.19 g/mol
Exact Mass294.07
IUPAC Name5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
SMILESCC(C)(C)CC1OC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C10H12F6O3/c1-7(2,3)4-5-6(17)19-8(18-5,9(11,12)13)10(14,15)16/h5H,4H2,1-3H3
InChIKeyFRHSRLWFQSLATR-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-Oxo-5,5-bis(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
CID 58676266
[2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-2-oxoethyl] 2,4,4-trimethylpentanoate
CID 88904715
[1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate
CID 134342932
[1-Methoxy-1-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] 2,2-dimethylbutanoate
CID 158162789
[1-Ethoxy-1-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] 2,2-dimethylbutanoate
CID 158162791
(5S)-5-(2,2-difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 11738169
5-(2,2-Difluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 21594432
5-(2,2-Difluoropropyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 21594433
5-(2,2-Dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one;2-hydroxy-4,4-dimethylpentanoic acid
CID 160417954
[1,1,1-Trifluoro-3-methoxy-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] 2,2-dimethylbutanoate
CID 163606133
[3-Ethoxy-1,1,1-trifluoro-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] 2,2-dimethylbutanoate
CID 163606135
[2-Oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylpentanoate
CID 159032301

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The IUPAC name of 5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one (CID 22629581) is 5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one is CC(C)(C)CC1OC(C(F)(F)F)(C(F)(F)F)OC1=O.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The InChIKey is FRHSRLWFQSLATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O3/c1-7(2,3)4-5-6(17)19-8(18-5,9(11,12)13)10(14,15)16/h5H,4H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one has a molecular weight of 294.19 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one is sourced from PubChem (CID 22629581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).