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

C14H20F8O2 — CID 88895495

IUPAC4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCC(C)(C)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(C)(C)C
InChIInChI=1S/C14H20F8O2/c1-7-9(5,6)11(16)10(15,8(2,3)4)23-12(24-11,13(17,18)19)14(20,21)22/h7H2,1-6H3
InChIKeyQCTIKZAUPDLFQF-UHFFFAOYSA-N
MW372.30 g/mol
LogP5.67
Rot. Bonds2

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

4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 88895495) has the molecular formula C14H20F8O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID88895495
Molecular FormulaC14H20F8O2
Molecular Weight372.30 g/mol
Exact Mass372.13
IUPAC Name4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCC(C)(C)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(C)(C)C
InChIInChI=1S/C14H20F8O2/c1-7-9(5,6)11(16)10(15,8(2,3)4)23-12(24-11,13(17,18)19)14(20,21)22/h7H2,1-6H3
InChIKeyQCTIKZAUPDLFQF-UHFFFAOYSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 88895495) is 4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane is CCC(C)(C)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is QCTIKZAUPDLFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F8O2/c1-7-9(5,6)11(16)10(15,8(2,3)4)23-12(24-11,13(17,18)19)14(20,21)22/h7H2,1-6H3.
What are the key properties of 4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 372.30 g/mol, XLogP of 5.67, 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-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 88895495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).