4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one

C7H8F4O3 — CID 165064595

IUPAC4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one
SMILESCC(F)(CC1COC(=O)O1)C(F)(F)F
InChIInChI=1S/C7H8F4O3/c1-6(8,7(9,10)11)2-4-3-13-5(12)14-4/h4H,2-3H2,1H3
InChIKeyRTJDVZAWEBWXRI-UHFFFAOYSA-N
MW216.13 g/mol
LogP2.20
Rot. Bonds2

About 4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one

4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one (PubChem CID 165064595) has the molecular formula C7H8F4O3 and a molecular weight of 216.13 g/mol. Its IUPAC name is 4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one
PubChem CID165064595
Molecular FormulaC7H8F4O3
Molecular Weight216.13 g/mol
Exact Mass216.04
IUPAC Name4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one
SMILESCC(F)(CC1COC(=O)O1)C(F)(F)F
InChIInChI=1S/C7H8F4O3/c1-6(8,7(9,10)11)2-4-3-13-5(12)14-4/h4H,2-3H2,1H3
InChIKeyRTJDVZAWEBWXRI-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one 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-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one (CID 165064595) is 4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one is CC(F)(CC1COC(=O)O1)C(F)(F)F.
What is the InChIKey of 4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one?
The InChIKey is RTJDVZAWEBWXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O3/c1-6(8,7(9,10)11)2-4-3-13-5(12)14-4/h4H,2-3H2,1H3.
What are the key properties of 4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one?
4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one has a molecular weight of 216.13 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3,3-tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 165064595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).