2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride

C3HClF4O2 — CID 131999586

IUPAC2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride
SMILESO=C(Cl)C(O)(F)C(F)(F)F
InChIInChI=1S/C3HClF4O2/c4-1(9)2(5,10)3(6,7)8/h10H
InChIKeyUWGOMBFECZRWPJ-UHFFFAOYSA-N
MW180.48 g/mol
LogP0.97
Rot. Bonds1

About 2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride

2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride (PubChem CID 131999586) has the molecular formula C3HClF4O2 and a molecular weight of 180.48 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride
PubChem CID131999586
Molecular FormulaC3HClF4O2
Molecular Weight180.48 g/mol
Exact Mass179.96
IUPAC Name2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride
SMILESO=C(Cl)C(O)(F)C(F)(F)F
InChIInChI=1S/C3HClF4O2/c4-1(9)2(5,10)3(6,7)8/h10H
InChIKeyUWGOMBFECZRWPJ-UHFFFAOYSA-N
XLogP0.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.48
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride 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

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl chloride
CID 2782569
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoyl chloride
CID 155662844
2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetyl chloride
CID 102129742
azane;2,2,2-trichloroacetyl chloride
CID 174960688
3,3,4-trifluoro-2,2,4-trimethylpentanoyl chloride
CID 129140711
2,2-difluorobutanoyl chloride
CID 105428401
2,2,3,3-tetrafluoro-4-oxobutanoyl chloride
CID 154334741
3,4-dibromo-2,2,3,4,4-pentafluorobutanoyl chloride
CID 14533537
2,2,2-tribromoacetyl chloride
CID 599146
potassium 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
CID 23684023
zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)
CID 87694788
2-fluoro-2-methylbutanedioyl dichloride
CID 19349889

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride?
The IUPAC name of 2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride (CID 131999586) is 2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride is O=C(Cl)C(O)(F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride?
The InChIKey is UWGOMBFECZRWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF4O2/c4-1(9)2(5,10)3(6,7)8/h10H.
What are the key properties of 2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride?
2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride has a molecular weight of 180.48 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-hydroxypropanoyl chloride is sourced from PubChem (CID 131999586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).