4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane

C10H18F2O2 — CID 148977792

IUPAC4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1OC(F)(F)OC1C(C)(C)C
InChIInChI=1S/C10H18F2O2/c1-6(2)7-8(9(3,4)5)14-10(11,12)13-7/h6-8H,1-5H3
InChIKeyPVDGJXLWQQXIKK-UHFFFAOYSA-N
MW208.25 g/mol
LogP3.02
Rot. Bonds1

About 4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane

4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane (PubChem CID 148977792) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane
PubChem CID148977792
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1OC(F)(F)OC1C(C)(C)C
InChIInChI=1S/C10H18F2O2/c1-6(2)7-8(9(3,4)5)14-10(11,12)13-7/h6-8H,1-5H3
InChIKeyPVDGJXLWQQXIKK-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane
CID 67950645
4,5-Ditert-butyl-4,5-difluoro-2,2-dimethyl-1,3-dioxolane
CID 68073063
2-Tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane
CID 71039348
2-(1,1-Difluoro-2,2-dimethylbutyl)-2-ethyl-1,3-dioxolane
CID 71056909
2-(1,1-Difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane
CID 71056986
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 88037601
4,5-Ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 88558595
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 88871601
4,5-Ditert-butyl-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane
CID 89652583
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-Ditert-butyl-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 117800840

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane?
The IUPAC name of 4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane (CID 148977792) is 4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane is CC(C)C1OC(F)(F)OC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane?
The InChIKey is PVDGJXLWQQXIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-6(2)7-8(9(3,4)5)14-10(11,12)13-7/h6-8H,1-5H3.
What are the key properties of 4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane?
4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane has a molecular weight of 208.25 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 148977792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).