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

C9H9F9O2 — CID 76623523

IUPAC4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)C1(F)OC(C)(C(F)(F)F)OC1(C)F
InChIInChI=1S/C9H9F9O2/c1-4(10,11)7(13,14)8(15)5(2,12)19-6(3,20-8)9(16,17)18/h1-3H3
InChIKeyZHEMPWPZCSWOTM-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.95
Rot. Bonds2

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

4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 76623523) has the molecular formula C9H9F9O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID76623523
Molecular FormulaC9H9F9O2
Molecular Weight320.15 g/mol
Exact Mass320.05
IUPAC Name4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)C1(F)OC(C)(C(F)(F)F)OC1(C)F
InChIInChI=1S/C9H9F9O2/c1-4(10,11)7(13,14)8(15)5(2,12)19-6(3,20-8)9(16,17)18/h1-3H3
InChIKeyZHEMPWPZCSWOTM-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane (CID 76623523) is 4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane is CC(F)(F)C(F)(F)C1(F)OC(C)(C(F)(F)F)OC1(C)F.
What is the InChIKey of 4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is ZHEMPWPZCSWOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O2/c1-4(10,11)7(13,14)8(15)5(2,12)19-6(3,20-8)9(16,17)18/h1-3H3.
What are the key properties of 4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane?
4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 320.15 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 76623523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).