2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane

C9H16F2O2 — CID 170408545

IUPAC2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)C1OC(F)(F)OC1C(C)C
InChIInChI=1S/C9H16F2O2/c1-5(2)7-8(6(3)4)13-9(10,11)12-7/h5-8H,1-4H3
InChIKeyJGWASYHGOSMVAG-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.63
Rot. Bonds2

About 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane

2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane (PubChem CID 170408545) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane
PubChem CID170408545
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)C1OC(F)(F)OC1C(C)C
InChIInChI=1S/C9H16F2O2/c1-5(2)7-8(6(3)4)13-9(10,11)12-7/h5-8H,1-4H3
InChIKeyJGWASYHGOSMVAG-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Diisopropyl-1,3-dioxolane
CID 13072632
2-Ethyl-2-isobutyl-1,3-dioxolane
CID 13634
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane
CID 67950645
2-Tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane
CID 71039348
2,2,4-Trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane
CID 90715762
2,2,4-Trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane
CID 91583322
4,5-Difluoro-4,5-di(propan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 117783684
4,5-Ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane
CID 118300585
4,5-Ditert-butyl-2,2-difluoro-1,3-dioxolane
CID 118300586
(2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane
CID 122549203
(2R,4R)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane
CID 122549204
4-Fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane
CID 122595453

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane?
The IUPAC name of 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane (CID 170408545) is 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane?
The canonical SMILES for 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane is CC(C)C1OC(F)(F)OC1C(C)C.
What is the InChIKey of 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane?
The InChIKey is JGWASYHGOSMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-5(2)7-8(6(3)4)13-9(10,11)12-7/h5-8H,1-4H3.
What are the key properties of 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane?
2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane has a molecular weight of 194.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 170408545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).