(4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol

C4H4F4O3 — CID 166879287

IUPAC(4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol
SMILESOC1OC(C(F)(F)F)[C@@H](F)O1
InChIInChI=1S/C4H4F4O3/c5-2-1(4(6,7)8)10-3(9)11-2/h1-3,9H/t1?,2-,3?/m0/s1
InChIKeyCNZQVWHHYVEPNE-IBNSKMKBSA-N
MW176.06 g/mol
LogP0.54
Rot. Bonds

About (4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol

(4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol (PubChem CID 166879287) has the molecular formula C4H4F4O3 and a molecular weight of 176.06 g/mol. Its IUPAC name is (4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol.

Molecular Properties

Compound Name(4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol
PubChem CID166879287
Molecular FormulaC4H4F4O3
Molecular Weight176.06 g/mol
Exact Mass176.01
IUPAC Name(4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol
SMILESOC1OC(C(F)(F)F)[C@@H](F)O1
InChIInChI=1S/C4H4F4O3/c5-2-1(4(6,7)8)10-3(9)11-2/h1-3,9H/t1?,2-,3?/m0/s1
InChIKeyCNZQVWHHYVEPNE-IBNSKMKBSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-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

(2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane
CID 135324287
4-fluoro-5-(trifluoromethyl)-1,3-dioxolane-2-carbaldehyde
CID 174528562
(2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane
CID 135324373
2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
CID 146643726
2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
CID 88593670
1-[3-(trifluoromethyl)oxiran-2-yl]ethanol
CID 86012116
2-ethyl-3-(trifluoromethyl)oxirane
CID 119096336
2,4-dioxabicyclo[3.2.1]octane-3,8-diol
CID 176878454
methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate
CID 124745641
[(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate
CID 23240453
cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol
CID 99986355
[5-acetyloxy-3-fluoro-2-iodo-6-(trifluoromethyl)oxan-4-yl] acetate
CID 18980662

Frequently Asked Questions

What is the IUPAC name of (4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol?
The IUPAC name of (4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol (CID 166879287) is (4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol.
What is the SMILES notation for (4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol?
The canonical SMILES for (4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol is OC1OC(C(F)(F)F)[C@@H](F)O1.
What is the InChIKey of (4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol?
The InChIKey is CNZQVWHHYVEPNE-IBNSKMKBSA-N. The full InChI is InChI=1S/C4H4F4O3/c5-2-1(4(6,7)8)10-3(9)11-2/h1-3,9H/t1?,2-,3?/m0/s1.
What are the key properties of (4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol?
(4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol has a molecular weight of 176.06 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol is sourced from PubChem (CID 166879287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).