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

C7H8F6O2 — CID 20793159

IUPAC4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC1OC(C(F)(F)F)(C(F)(F)F)OC1C
InChIInChI=1S/C7H8F6O2/c1-3-4(2)15-5(14-3,6(8,9)10)7(11,12)13/h3-4H,1-2H3
InChIKeyNMCQHMALQZKDRR-UHFFFAOYSA-N
MW238.13 g/mol
LogP2.63
Rot. Bonds

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

4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 20793159) has the molecular formula C7H8F6O2 and a molecular weight of 238.13 g/mol. Its IUPAC name is 4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID20793159
Molecular FormulaC7H8F6O2
Molecular Weight238.13 g/mol
Exact Mass238.04
IUPAC Name4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC1OC(C(F)(F)F)(C(F)(F)F)OC1C
InChIInChI=1S/C7H8F6O2/c1-3-4(2)15-5(14-3,6(8,9)10)7(11,12)13/h3-4H,1-2H3
InChIKeyNMCQHMALQZKDRR-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 20793159) is 4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is CC1OC(C(F)(F)F)(C(F)(F)F)OC1C.
What is the InChIKey of 4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is NMCQHMALQZKDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O2/c1-3-4(2)15-5(14-3,6(8,9)10)7(11,12)13/h3-4H,1-2H3.
What are the key properties of 4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 238.13 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 20793159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).