4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane

C10H17F3O3 — CID 160909763

IUPAC4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane
SMILESCC(C)(F)C(C)(F)F.CC1OC(=O)OC1C
InChIInChI=1S/C5H9F3.C5H8O3/c1-4(2,6)5(3,7)8;1-3-4(2)8-5(6)7-3/h1-3H3;3-4H,1-2H3
InChIKeySQPRILHWNNZSLG-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.32
Rot. Bonds1

About 4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane

4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane (PubChem CID 160909763) has the molecular formula C10H17F3O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane.

Molecular Properties

Compound Name4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane
PubChem CID160909763
Molecular FormulaC10H17F3O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane
SMILESCC(C)(F)C(C)(F)F.CC1OC(=O)OC1C
InChIInChI=1S/C5H9F3.C5H8O3/c1-4(2,6)5(3,7)8;1-3-4(2)8-5(6)7-3/h1-3H3;3-4H,1-2H3
InChIKeySQPRILHWNNZSLG-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolan-2-one
CID 130342560
4-amino-5-methyl-1,3-dioxolan-2-one
CID 67944601
(4S,5R)-4,5-ditert-butyl-1,3-dioxolan-2-one
CID 58446547
4-(hydroxymethyl)-5-methyl-1,3-dioxolan-2-one
CID 14039899
2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid
CID 54244511
(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one
CID 7159230
4-ethyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
CID 163608086
4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 59435091
ethyl 2-iodo-2-[(4R,5S)-5-methyl-2-oxo-1,3-dioxolan-4-yl]propanoate
CID 10426610
(5-methyl-2-oxo-1,3-dioxolan-4-yl) hydrogen sulfite
CID 130284035
4-(1-fluoroethyl)-1,3-dioxetan-2-one
CID 175470122
2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one
CID 158234660

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane?
The IUPAC name of 4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane (CID 160909763) is 4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane.
What is the SMILES notation for 4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane?
The canonical SMILES for 4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane is CC(C)(F)C(C)(F)F.CC1OC(=O)OC1C.
What is the InChIKey of 4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane?
The InChIKey is SQPRILHWNNZSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3.C5H8O3/c1-4(2,6)5(3,7)8;1-3-4(2)8-5(6)7-3/h1-3H3;3-4H,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane?
4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane has a molecular weight of 242.24 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-dioxolan-2-one;2,2,3-trifluoro-3-methylbutane is sourced from PubChem (CID 160909763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).