4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane

C6H7F5O2 — CID 170230565

IUPAC4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(F)OC(C(F)(F)F)OC1(C)F
InChIInChI=1S/C6H7F5O2/c1-4(7)5(2,8)13-3(12-4)6(9,10)11/h3H,1-2H3
InChIKeyCHZISJYIYXNEHR-UHFFFAOYSA-N
MW206.11 g/mol
LogP2.29
Rot. Bonds

About 4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane

4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 170230565) has the molecular formula C6H7F5O2 and a molecular weight of 206.11 g/mol. Its IUPAC name is 4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID170230565
Molecular FormulaC6H7F5O2
Molecular Weight206.11 g/mol
Exact Mass206.04
IUPAC Name4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(F)OC(C(F)(F)F)OC1(C)F
InChIInChI=1S/C6H7F5O2/c1-4(7)5(2,8)13-3(12-4)6(9,10)11/h3H,1-2H3
InChIKeyCHZISJYIYXNEHR-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trifluoro-3-methyloxirane
CID 22289961
4,5,6-trimethyl-2-(trifluoromethyl)-1,3-dioxane
CID 171762037
2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane
CID 151305254
2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 22090858
3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one
CID 11095248
2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane
CID 58696612
(2R,3S,5S,6S)-3,6-ditert-butyl-2-methyl-5-(trifluoromethyl)-1,4-dioxane-2,5-diol
CID 71037473
(3aS,4R,5S,7S,7aR)-2,2-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5-diol
CID 169294449
4,5,5-trifluoro-2-(trifluoromethyl)-2H-furan
CID 20793137
5,5-difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 20617084
2,2-difluoropropane;ethane
CID 144524394
2-(trifluoromethyl)-1,3-dioxan-5-ol
CID 151166447

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane (CID 170230565) is 4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane is CC1(F)OC(C(F)(F)F)OC1(C)F.
What is the InChIKey of 4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is CHZISJYIYXNEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O2/c1-4(7)5(2,8)13-3(12-4)6(9,10)11/h3H,1-2H3.
What are the key properties of 4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 206.11 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 170230565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).