4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride

C6H6F4O3 — CID 23183648

IUPAC4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride
SMILESCC1(C(=O)F)OC(C)(F)C(F)(F)O1
InChIInChI=1S/C6H6F4O3/c1-4(3(7)11)12-5(2,8)6(9,10)13-4/h1-2H3
InChIKeyGBFPNUDUJKVIJJ-UHFFFAOYSA-N
MW202.10 g/mol
LogP1.52
Rot. Bonds1

About 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride

4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride (PubChem CID 23183648) has the molecular formula C6H6F4O3 and a molecular weight of 202.10 g/mol. Its IUPAC name is 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride.

Molecular Properties

Compound Name4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride
PubChem CID23183648
Molecular FormulaC6H6F4O3
Molecular Weight202.10 g/mol
Exact Mass202.03
IUPAC Name4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride
SMILESCC1(C(=O)F)OC(C)(F)C(F)(F)O1
InChIInChI=1S/C6H6F4O3/c1-4(3(7)11)12-5(2,8)6(9,10)13-4/h1-2H3
InChIKeyGBFPNUDUJKVIJJ-UHFFFAOYSA-N
XLogP1.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride 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 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride?
The IUPAC name of 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride (CID 23183648) is 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride.
What is the SMILES notation for 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride?
The canonical SMILES for 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride is CC1(C(=O)F)OC(C)(F)C(F)(F)O1.
What is the InChIKey of 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride?
The InChIKey is GBFPNUDUJKVIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4O3/c1-4(3(7)11)12-5(2,8)6(9,10)13-4/h1-2H3.
What are the key properties of 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride?
4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride has a molecular weight of 202.10 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride is sourced from PubChem (CID 23183648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).