6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane

C9H11F5O2 — CID 20681742

IUPAC6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane
SMILESCC1OC2(CC2(F)F)OC1(F)CC(C)(F)F
InChIInChI=1S/C9H11F5O2/c1-5-7(12,3-6(2,10)11)16-9(15-5)4-8(9,13)14/h5H,3-4H2,1-2H3
InChIKeyCLDNYVYIJASQNN-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.87
Rot. Bonds2

About 6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane

6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 20681742) has the molecular formula C9H11F5O2 and a molecular weight of 246.17 g/mol. Its IUPAC name is 6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane
PubChem CID20681742
Molecular FormulaC9H11F5O2
Molecular Weight246.17 g/mol
Exact Mass246.07
IUPAC Name6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane
SMILESCC1OC2(CC2(F)F)OC1(F)CC(C)(F)F
InChIInChI=1S/C9H11F5O2/c1-5-7(12,3-6(2,10)11)16-9(15-5)4-8(9,13)14/h5H,3-4H2,1-2H3
InChIKeyCLDNYVYIJASQNN-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane with MolForge

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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
3,3-Diethoxyperfluoro-2-methyloxolane
CID 129762031
3,3-Di-isopropoxyperfluoro-2-methyloxolane
CID 129762070
4,5-Dipropyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 549956
4,5-Dibutyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 550141
4-Butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 550312
1,3-Dioxolane, 4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-, cis-
CID 21731539
1,3-Dioxolane, 4,5-dipropyl-2,2-bis(trifluoromethyl)-, cis-
CID 21731540
1,3-Dioxolane, 4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-, trans-
CID 21731542
1,3-Dioxolane, 4,5-dipropyl-2,2-bis(trifluoromethyl)-, trans-
CID 21731543
1,3-Dioxolane, 4,5-dibutyl-2,2-bis(difluoromethyl)-, cis-
CID 21731607
1,3-Dioxolane, 4,5-dibutyl-2,2-bis(trifluoromethyl)-, trans-
CID 21731611

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane (CID 20681742) is 6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane is CC1OC2(CC2(F)F)OC1(F)CC(C)(F)F.
What is the InChIKey of 6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is CLDNYVYIJASQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O2/c1-5-7(12,3-6(2,10)11)16-9(15-5)4-8(9,13)14/h5H,3-4H2,1-2H3.
What are the key properties of 6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane?
6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 246.17 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoropropyl)-2,2,6-trifluoro-5-methyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 20681742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).