4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane

C7H5F7O2 — CID 131973026

IUPAC4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(C(F)=C(F)F)OCC(F)(C(F)(F)F)O1
InChIInChI=1S/C7H5F7O2/c1-5(3(8)4(9)10)15-2-6(11,16-5)7(12,13)14/h2H2,1H3
InChIKeyFDBOXSQLCVQKGW-UHFFFAOYSA-N
MW254.10 g/mol
LogP3.06
Rot. Bonds1

About 4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane

4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane (PubChem CID 131973026) has the molecular formula C7H5F7O2 and a molecular weight of 254.10 g/mol. Its IUPAC name is 4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane
PubChem CID131973026
Molecular FormulaC7H5F7O2
Molecular Weight254.10 g/mol
Exact Mass254.02
IUPAC Name4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(C(F)=C(F)F)OCC(F)(C(F)(F)F)O1
InChIInChI=1S/C7H5F7O2/c1-5(3(8)4(9)10)15-2-6(11,16-5)7(12,13)14/h2H2,1H3
InChIKeyFDBOXSQLCVQKGW-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane (CID 131973026) is 4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane is CC1(C(F)=C(F)F)OCC(F)(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is FDBOXSQLCVQKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7O2/c1-5(3(8)4(9)10)15-2-6(11,16-5)7(12,13)14/h2H2,1H3.
What are the key properties of 4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane?
4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 254.10 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 131973026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).