3,3,3-trichloro-2,2-dihydroxypropanoic acid

C3H3Cl3O4 — CID 2723815

IUPAC3,3,3-trichloro-2,2-dihydroxypropanoic acid
SMILESO=C(O)C(O)(O)C(Cl)(Cl)Cl
InChIInChI=1S/C3H3Cl3O4/c4-3(5,6)2(9,10)1(7)8/h9-10H,(H,7,8)
InChIKeyIMXRFUZDYLVLKI-UHFFFAOYSA-N
MW209.41 g/mol
LogP0.12
Rot. Bonds1

About 3,3,3-trichloro-2,2-dihydroxypropanoic acid

3,3,3-trichloro-2,2-dihydroxypropanoic acid (PubChem CID 2723815) has the molecular formula C3H3Cl3O4 and a molecular weight of 209.41 g/mol. Its IUPAC name is 3,3,3-trichloro-2,2-dihydroxypropanoic acid.

Molecular Properties

Compound Name3,3,3-trichloro-2,2-dihydroxypropanoic acid
PubChem CID2723815
Molecular FormulaC3H3Cl3O4
Molecular Weight209.41 g/mol
Exact Mass207.91
IUPAC Name3,3,3-trichloro-2,2-dihydroxypropanoic acid
SMILESO=C(O)C(O)(O)C(Cl)(Cl)Cl
InChIInChI=1S/C3H3Cl3O4/c4-3(5,6)2(9,10)1(7)8/h9-10H,(H,7,8)
InChIKeyIMXRFUZDYLVLKI-UHFFFAOYSA-N
XLogP0.12
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.41
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-hydroxypropanoic acid;silver
CID 175606695
3,3,4,4,4-pentachloro-2,2-difluorobutanoic acid
CID 154364523
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
tetramethylazanium;2,2,2-trichloroacetic acid
CID 19752148
2-bromo-2-chloropropanoic acid
CID 523004
2,3,4,4,4-pentachloro-2,3-bis(trichloromethyl)butanoic acid
CID 174927745
2,2,3,3-tetrahydroxy-4-oxopentanedioic acid
CID 172774596
2,2,3-trichloro-3-methylbutanoic acid
CID 54283694
trichloromethylsilane;2,2,2-trifluoroacetic acid
CID 174914882
dilithium;hydride;2,2,2-trichloroacetic acid
CID 175045504
2,2,4-trihydroxy-3,3-dimethylpentanedioic acid
CID 142762152
propan-2-ylsilane;2,2,2-trichloroacetic acid
CID 174846669

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trichloro-2,2-dihydroxypropanoic acid?
The IUPAC name of 3,3,3-trichloro-2,2-dihydroxypropanoic acid (CID 2723815) is 3,3,3-trichloro-2,2-dihydroxypropanoic acid.
What is the SMILES notation for 3,3,3-trichloro-2,2-dihydroxypropanoic acid?
The canonical SMILES for 3,3,3-trichloro-2,2-dihydroxypropanoic acid is O=C(O)C(O)(O)C(Cl)(Cl)Cl.
What is the InChIKey of 3,3,3-trichloro-2,2-dihydroxypropanoic acid?
The InChIKey is IMXRFUZDYLVLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl3O4/c4-3(5,6)2(9,10)1(7)8/h9-10H,(H,7,8).
What are the key properties of 3,3,3-trichloro-2,2-dihydroxypropanoic acid?
3,3,3-trichloro-2,2-dihydroxypropanoic acid has a molecular weight of 209.41 g/mol, XLogP of 0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trichloro-2,2-dihydroxypropanoic acid is sourced from PubChem (CID 2723815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).