dichloromethane;2,3,3-trichloropropanoic acid

C4H5Cl5O2 — CID 88783389

IUPACdichloromethane;2,3,3-trichloropropanoic acid
SMILESClCCl.O=C(O)C(Cl)C(Cl)Cl
InChIInChI=1S/C3H3Cl3O2.CH2Cl2/c4-1(2(5)6)3(7)8;2-1-3/h1-2H,(H,7,8);1H2
InChIKeyVSYFTADLBBUOAZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.90
Rot. Bonds2

About dichloromethane;2,3,3-trichloropropanoic acid

dichloromethane;2,3,3-trichloropropanoic acid (PubChem CID 88783389) has the molecular formula C4H5Cl5O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is dichloromethane;2,3,3-trichloropropanoic acid.

Molecular Properties

Compound Namedichloromethane;2,3,3-trichloropropanoic acid
PubChem CID88783389
Molecular FormulaC4H5Cl5O2
Molecular Weight262.35 g/mol
Exact Mass259.87
IUPAC Namedichloromethane;2,3,3-trichloropropanoic acid
SMILESClCCl.O=C(O)C(Cl)C(Cl)Cl
InChIInChI=1S/C3H3Cl3O2.CH2Cl2/c4-1(2(5)6)3(7)8;2-1-3/h1-2H,(H,7,8);1H2
InChIKeyVSYFTADLBBUOAZ-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.90
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

dichloromethane;2-methylpropanoic acid
CID 161358956
2,7-dichloro-3,6-dihydroxyoctanedioic acid
CID 56988665
carbonic acid;dichloromethane
CID 87514103
2,3-dichlorobutanoic acid
CID 534513
2,3,6-trichloro-4,6-dioxohexanoic acid
CID 123301466
bis(2,2-dichloroacetic acid);dihydrochloride
CID 173211247
2,3,4,18-tetrachlorooctadecanoic acid
CID 118195492
2,3,4,4-tetrachlorooctanoic acid
CID 175123518
2-chloro-3-methyl-4-nitropentanoic acid
CID 88654606
2,3,4,4-tetrachlorobutanoyl chloride
CID 22644557
propanoic acid;1,1,2,2-tetrachloroethane
CID 21185452
acetic acid;(dichloromethane);methanol
CID 173388034

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2,3,3-trichloropropanoic acid?
The IUPAC name of dichloromethane;2,3,3-trichloropropanoic acid (CID 88783389) is dichloromethane;2,3,3-trichloropropanoic acid.
What is the SMILES notation for dichloromethane;2,3,3-trichloropropanoic acid?
The canonical SMILES for dichloromethane;2,3,3-trichloropropanoic acid is ClCCl.O=C(O)C(Cl)C(Cl)Cl.
What is the InChIKey of dichloromethane;2,3,3-trichloropropanoic acid?
The InChIKey is VSYFTADLBBUOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl3O2.CH2Cl2/c4-1(2(5)6)3(7)8;2-1-3/h1-2H,(H,7,8);1H2.
What are the key properties of dichloromethane;2,3,3-trichloropropanoic acid?
dichloromethane;2,3,3-trichloropropanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2,3,3-trichloropropanoic acid is sourced from PubChem (CID 88783389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).