2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane

C9H15F3O2 — CID 90715762

IUPAC2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane
SMILESCC(C)C(C)C1(F)OC(F)(F)OC1C
InChIInChI=1S/C9H15F3O2/c1-5(2)6(3)8(10)7(4)13-9(11,12)14-8/h5-7H,1-4H3
InChIKeyKMKPMSHYMFEMAO-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.93
Rot. Bonds2

About 2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane

2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane (PubChem CID 90715762) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane
PubChem CID90715762
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane
SMILESCC(C)C(C)C1(F)OC(F)(F)OC1C
InChIInChI=1S/C9H15F3O2/c1-5(2)6(3)8(10)7(4)13-9(11,12)14-8/h5-7H,1-4H3
InChIKeyKMKPMSHYMFEMAO-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one
CID 21263529
(4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 89090354
2,2,4,5-Tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
CID 91328787
2,2,4-Trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane
CID 91583322
4-Butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane
CID 143715525
4-Tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane
CID 148977792
4-Ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane
CID 149059320
2,4,4-Trimethyl-5-propyl-2-(trifluoromethyl)-1,3-dioxolane
CID 160409262
4-Ethyl-2,2-difluoro-5-(2-methylbutan-2-yl)-1,3-dioxolane
CID 163896835
4-(3,3-Difluorobutan-2-yl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 164106046
2,2-Difluoro-4,5-di(propan-2-yl)-1,3-dioxolane
CID 170408545
2,2-Difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane
CID 89080861

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane?
The IUPAC name of 2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane (CID 90715762) is 2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane?
The canonical SMILES for 2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane is CC(C)C(C)C1(F)OC(F)(F)OC1C.
What is the InChIKey of 2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane?
The InChIKey is KMKPMSHYMFEMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c1-5(2)6(3)8(10)7(4)13-9(11,12)14-8/h5-7H,1-4H3.
What are the key properties of 2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane?
2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane has a molecular weight of 212.21 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 90715762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).