2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol

C4H5F3O4 — CID 131967198

IUPAC2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol
SMILESOCC1(O)OC(F)(F)OC1F
InChIInChI=1S/C4H5F3O4/c5-2-3(9,1-8)11-4(6,7)10-2/h2,8-9H,1H2
InChIKeyCSTFJEDOSLWTFX-UHFFFAOYSA-N
MW174.07 g/mol
LogP-0.44
Rot. Bonds1

About 2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol

2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol (PubChem CID 131967198) has the molecular formula C4H5F3O4 and a molecular weight of 174.07 g/mol. Its IUPAC name is 2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol.

Molecular Properties

Compound Name2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol
PubChem CID131967198
Molecular FormulaC4H5F3O4
Molecular Weight174.07 g/mol
Exact Mass174.01
IUPAC Name2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol
SMILESOCC1(O)OC(F)(F)OC1F
InChIInChI=1S/C4H5F3O4/c5-2-3(9,1-8)11-4(6,7)10-2/h2,8-9H,1H2
InChIKeyCSTFJEDOSLWTFX-UHFFFAOYSA-N
XLogP-0.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.07
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

2,3-bis(hydroxymethyl)oxiran-2-ol
CID 141376073
2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol
CID 177060045
CID 58682564
CID 58682564
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane
CID 177060046
(2S,3S,4R,5R,6S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
CID 10013013
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(2S,3S,4S,5S)-5-(chloromethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 131187722
(2R,3R,5S,6R)-1-[(3S,4R,5S,6S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexane-1,2,3,4,5,6-hexol
CID 142629034
(1S,3S,4S,5S)-1,3-bis(hydroxymethyl)-2,6,7-trioxabicyclo[3.2.0]heptane-3,4-diol
CID 172914148

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol?
The IUPAC name of 2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol (CID 131967198) is 2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol.
What is the SMILES notation for 2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol?
The canonical SMILES for 2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol is OCC1(O)OC(F)(F)OC1F.
What is the InChIKey of 2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol?
The InChIKey is CSTFJEDOSLWTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O4/c5-2-3(9,1-8)11-4(6,7)10-2/h2,8-9H,1H2.
What are the key properties of 2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol?
2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol has a molecular weight of 174.07 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol is sourced from PubChem (CID 131967198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).