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'}

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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).