2,2,3-trichloro-3-methylbutanoic acid

C5H7Cl3O2 — CID 54283694

IUPAC2,2,3-trichloro-3-methylbutanoic acid
SMILESCC(C)(Cl)C(Cl)(Cl)C(=O)O
InChIInChI=1S/C5H7Cl3O2/c1-4(2,6)5(7,8)3(9)10/h1-2H3,(H,9,10)
InChIKeyRSPCNGNCNOZEKX-UHFFFAOYSA-N
MW205.47 g/mol
LogP2.26
Rot. Bonds2

About 2,2,3-trichloro-3-methylbutanoic acid

2,2,3-trichloro-3-methylbutanoic acid (PubChem CID 54283694) has the molecular formula C5H7Cl3O2 and a molecular weight of 205.47 g/mol. Its IUPAC name is 2,2,3-trichloro-3-methylbutanoic acid.

Molecular Properties

Compound Name2,2,3-trichloro-3-methylbutanoic acid
PubChem CID54283694
Molecular FormulaC5H7Cl3O2
Molecular Weight205.47 g/mol
Exact Mass203.95
IUPAC Name2,2,3-trichloro-3-methylbutanoic acid
SMILESCC(C)(Cl)C(Cl)(Cl)C(=O)O
InChIInChI=1S/C5H7Cl3O2/c1-4(2,6)5(7,8)3(9)10/h1-2H3,(H,9,10)
InChIKeyRSPCNGNCNOZEKX-UHFFFAOYSA-N
XLogP2.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-chloropropanoic acid
CID 523004
2-chloro-2-hydroxypropanoic acid;silver
CID 175606695
2,2-dimethylpropanoic acid
CID 87781698
2,2,3,3-tetrachlorohexanoic acid
CID 101280297
propan-2-ylsilane;2,2,2-trichloroacetic acid
CID 174846669
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
tetramethylazanium;2,2,2-trichloroacetic acid
CID 19752148
3,3,3-trichloro-2,2-dihydroxypropanoic acid
CID 2723815
2,2-dimethylpropanedioic acid;hydrochloride
CID 87713726
magnesium;2,2-dimethylpropanoic acid;hydride
CID 173170298

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trichloro-3-methylbutanoic acid?
The IUPAC name of 2,2,3-trichloro-3-methylbutanoic acid (CID 54283694) is 2,2,3-trichloro-3-methylbutanoic acid.
What is the SMILES notation for 2,2,3-trichloro-3-methylbutanoic acid?
The canonical SMILES for 2,2,3-trichloro-3-methylbutanoic acid is CC(C)(Cl)C(Cl)(Cl)C(=O)O.
What is the InChIKey of 2,2,3-trichloro-3-methylbutanoic acid?
The InChIKey is RSPCNGNCNOZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3O2/c1-4(2,6)5(7,8)3(9)10/h1-2H3,(H,9,10).
What are the key properties of 2,2,3-trichloro-3-methylbutanoic acid?
2,2,3-trichloro-3-methylbutanoic acid has a molecular weight of 205.47 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trichloro-3-methylbutanoic acid is sourced from PubChem (CID 54283694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).