4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane

C14H26F2O2 — CID 89467915

IUPAC4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane
SMILESCCC(C)(C)C1(F)OC(C)(C)OC1(F)C(C)(C)C
InChIInChI=1S/C14H26F2O2/c1-9-11(5,6)14(16)13(15,10(2,3)4)17-12(7,8)18-14/h9H2,1-8H3
InChIKeyHJXYPYDDRMVUCW-UHFFFAOYSA-N
MW264.36 g/mol
LogP4.58
Rot. Bonds2

About 4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane

4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane (PubChem CID 89467915) has the molecular formula C14H26F2O2 and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane
PubChem CID89467915
Molecular FormulaC14H26F2O2
Molecular Weight264.36 g/mol
Exact Mass264.19
IUPAC Name4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane
SMILESCCC(C)(C)C1(F)OC(C)(C)OC1(F)C(C)(C)C
InChIInChI=1S/C14H26F2O2/c1-9-11(5,6)14(16)13(15,10(2,3)4)17-12(7,8)18-14/h9H2,1-8H3
InChIKeyHJXYPYDDRMVUCW-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane with MolForge

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Related Compounds

8,8-Bis(fluoromethyl)-1,4-dioxaspiro[4.5]decane
CID 67169965
4,5-Ditert-butyl-4,5-difluoro-2,2-dimethyl-1,3-dioxolane
CID 68073063
4,5-Difluoro-2-methyl-4,5-bis(2-methylbutan-2-yl)-2-(trifluoromethyl)-1,3-dioxolane
CID 68222742
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-Tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 88895495
4,5-Difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 89072473
4,5-Difluoro-4-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 89119657
4,5-Bis(1,1-difluoro-2,2-dimethylbutyl)-2,2,4,5-tetrafluoro-1,3-dioxolane
CID 89652565

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane?
The IUPAC name of 4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane (CID 89467915) is 4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane?
The canonical SMILES for 4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane is CCC(C)(C)C1(F)OC(C)(C)OC1(F)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane?
The InChIKey is HJXYPYDDRMVUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O2/c1-9-11(5,6)14(16)13(15,10(2,3)4)17-12(7,8)18-14/h9H2,1-8H3.
What are the key properties of 4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane?
4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane has a molecular weight of 264.36 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 89467915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).