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

C6H5F7O2 — CID 21362175

IUPAC4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC1(F)COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6H5F7O2/c1-3(7)2-14-4(15-3,5(8,9)10)6(11,12)13/h2H2,1H3
InChIKeyDTWGSNAJGVQCTD-UHFFFAOYSA-N
MW242.09 g/mol
LogP2.54
Rot. Bonds

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

4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 21362175) has the molecular formula C6H5F7O2 and a molecular weight of 242.09 g/mol. Its IUPAC name is 4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID21362175
Molecular FormulaC6H5F7O2
Molecular Weight242.09 g/mol
Exact Mass242.02
IUPAC Name4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC1(F)COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6H5F7O2/c1-3(7)2-14-4(15-3,5(8,9)10)6(11,12)13/h2H2,1H3
InChIKeyDTWGSNAJGVQCTD-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 21362175) is 4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is CC1(F)COC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is DTWGSNAJGVQCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O2/c1-3(7)2-14-4(15-3,5(8,9)10)6(11,12)13/h2H2,1H3.
What are the key properties of 4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 242.09 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 21362175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).