4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane

C9H12F6O2 — CID 58752948

IUPAC4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCCC1OC(C(F)(F)F)(C(F)(F)F)OC1C
InChIInChI=1S/C9H12F6O2/c1-3-4-6-5(2)16-7(17-6,8(10,11)12)9(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyXGITVYQGBBALEH-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.41
Rot. Bonds2

About 4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane

4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 58752948) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID58752948
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCCC1OC(C(F)(F)F)(C(F)(F)F)OC1C
InChIInChI=1S/C9H12F6O2/c1-3-4-6-5(2)16-7(17-6,8(10,11)12)9(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyXGITVYQGBBALEH-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-2,2-dimethyl-1,3-dioxolane
CID 11971316
8,8-Difluoro-1,4-dioxaspiro[4.5]decane
CID 22225014
1,3-Dioxolane, 4-ethyl-5-octyl-2,2-bis(trifluoromethyl)-, trans-
CID 91694992
2,2-Difluoro-4-propyl-1,3-dioxolane
CID 18923918
2,2-Dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane
CID 10893921
2,2-Dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane
CID 15472345
cis-4-Pentyl-5-propyl-2,2-bis(trifluoro methyl)-1,3-dioxolane
CID 101834213
2-{[1-(2,2,3,3-Tetrafluoropropoxy)ethoxy]-methyl}tetrahydrofuran
CID 129743883
3,3-Diethoxyperfluoro-2-methyloxolane
CID 129762031
3,3-Di-isopropoxyperfluoro-2-methyloxolane
CID 129762070
1,3-Dioxolane, 4-ethyl-5-hexyl-2,2-bis(trifluoromethyl)-
CID 38001
4,5-Dipropyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 549956

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 58752948) is 4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is CCCC1OC(C(F)(F)F)(C(F)(F)F)OC1C.
What is the InChIKey of 4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is XGITVYQGBBALEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c1-3-4-6-5(2)16-7(17-6,8(10,11)12)9(13,14)15/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 266.18 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 58752948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).