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

C7H7ClF6O2 — CID 58969675

IUPAC4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC1OC(C(F)(F)F)(C(F)(F)F)OC1(C)Cl
InChIInChI=1S/C7H7ClF6O2/c1-3-4(2,8)16-5(15-3,6(9,10)11)7(12,13)14/h3H,1-2H3
InChIKeyMNMGEQJQXBBPKC-UHFFFAOYSA-N
MW272.57 g/mol
LogP3.20
Rot. Bonds

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

4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 58969675) has the molecular formula C7H7ClF6O2 and a molecular weight of 272.57 g/mol. Its IUPAC name is 4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID58969675
Molecular FormulaC7H7ClF6O2
Molecular Weight272.57 g/mol
Exact Mass272.00
IUPAC Name4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC1OC(C(F)(F)F)(C(F)(F)F)OC1(C)Cl
InChIInChI=1S/C7H7ClF6O2/c1-3-4(2,8)16-5(15-3,6(9,10)11)7(12,13)14/h3H,1-2H3
InChIKeyMNMGEQJQXBBPKC-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.57
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 58969675) is 4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is CC1OC(C(F)(F)F)(C(F)(F)F)OC1(C)Cl.
What is the InChIKey of 4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is MNMGEQJQXBBPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF6O2/c1-3-4(2,8)16-5(15-3,6(9,10)11)7(12,13)14/h3H,1-2H3.
What are the key properties of 4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 272.57 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 58969675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).