4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane

C9H6F12O2 — CID 18683775

IUPAC4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F
InChIInChI=1S/C9H6F12O2/c1-3(10,11)5(13,14)6(15)4(2,12)22-7(23-6,8(16,17)18)9(19,20)21/h1-2H3
InChIKeyAVRDAFGRPYTCCQ-UHFFFAOYSA-N
MW374.12 g/mol
LogP4.50
Rot. Bonds2

About 4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane

4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 18683775) has the molecular formula C9H6F12O2 and a molecular weight of 374.12 g/mol. Its IUPAC name is 4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID18683775
Molecular FormulaC9H6F12O2
Molecular Weight374.12 g/mol
Exact Mass374.02
IUPAC Name4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F
InChIInChI=1S/C9H6F12O2/c1-3(10,11)5(13,14)6(15)4(2,12)22-7(23-6,8(16,17)18)9(19,20)21/h1-2H3
InChIKeyAVRDAFGRPYTCCQ-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.12
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-Diethoxyperfluoro-2-methyloxolane
CID 129762031
2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane
CID 18710858
2,2,4-Trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane
CID 18710860
4,5-Difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 20743579
4,5-Bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane
CID 20823502
4-Ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane
CID 21134549
2,2,4-Trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane
CID 22088871
4-Ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 22887513
2,4-Difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 23534653
2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 23553810
2-(1,1-Difluoroethyl)-4,5-diethyl-4,5-difluoro-2-methyl-1,3-dioxolane
CID 57582876
2-Fluoro-4-methyl-5-propyl-2-(trifluoromethyl)-1,3-dioxolane
CID 57583082

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 18683775) is 4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane is CC(F)(F)C(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F.
What is the InChIKey of 4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is AVRDAFGRPYTCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F12O2/c1-3(10,11)5(13,14)6(15)4(2,12)22-7(23-6,8(16,17)18)9(19,20)21/h1-2H3.
What are the key properties of 4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 374.12 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 18683775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).