2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole

C4HF5O2 — CID 54330170

IUPAC2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole
SMILESFC1(F)OC=C(C(F)(F)F)O1
InChIInChI=1S/C4HF5O2/c5-3(6,7)2-1-10-4(8,9)11-2/h1H
InChIKeySXTYUVSZTCJBBR-UHFFFAOYSA-N
MW176.04 g/mol
LogP1.99
Rot. Bonds

About 2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole

2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole (PubChem CID 54330170) has the molecular formula C4HF5O2 and a molecular weight of 176.04 g/mol. Its IUPAC name is 2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole
PubChem CID54330170
Molecular FormulaC4HF5O2
Molecular Weight176.04 g/mol
Exact Mass175.99
IUPAC Name2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole
SMILESFC1(F)OC=C(C(F)(F)F)O1
InChIInChI=1S/C4HF5O2/c5-3(6,7)2-1-10-4(8,9)11-2/h1H
InChIKeySXTYUVSZTCJBBR-UHFFFAOYSA-N
XLogP1.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.04
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole 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 2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole (CID 54330170) is 2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole is FC1(F)OC=C(C(F)(F)F)O1.
What is the InChIKey of 2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole?
The InChIKey is SXTYUVSZTCJBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5O2/c5-3(6,7)2-1-10-4(8,9)11-2/h1H.
What are the key properties of 2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole?
2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole has a molecular weight of 176.04 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 54330170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).