2,3,4,4-tetrachlorobutanoyl chloride

C4H3Cl5O — CID 22644557

IUPAC2,3,4,4-tetrachlorobutanoyl chloride
SMILESO=C(Cl)C(Cl)C(Cl)C(Cl)Cl
InChIInChI=1S/C4H3Cl5O/c5-1(3(7)8)2(6)4(9)10/h1-3H
InChIKeyWCPANQNSIJRSNH-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.77
Rot. Bonds3

About 2,3,4,4-tetrachlorobutanoyl chloride

2,3,4,4-tetrachlorobutanoyl chloride (PubChem CID 22644557) has the molecular formula C4H3Cl5O and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,3,4,4-tetrachlorobutanoyl chloride.

Molecular Properties

Compound Name2,3,4,4-tetrachlorobutanoyl chloride
PubChem CID22644557
Molecular FormulaC4H3Cl5O
Molecular Weight244.33 g/mol
Exact Mass241.86
IUPAC Name2,3,4,4-tetrachlorobutanoyl chloride
SMILESO=C(Cl)C(Cl)C(Cl)C(Cl)Cl
InChIInChI=1S/C4H3Cl5O/c5-1(3(7)8)2(6)4(9)10/h1-3H
InChIKeyWCPANQNSIJRSNH-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichlorobutanoic acid
CID 534513
dichloromethane;2,3,3-trichloropropanoic acid
CID 88783389
(2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride
CID 23263183
(2S,3S)-2-chloro-3,7-dimethyloctanoyl chloride
CID 88646645
2,2-difluoroacetyl chloride;hydrochloride
CID 162572383
2,3,6-trichloro-4,6-dioxohexanoic acid
CID 123301466
(1,1,3-trichloro-3-oxopropan-2-yl) acetate
CID 174873881
4,4-dichloro-2-hydroxy-3-oxobutanoyl chloride
CID 21288097
2,7-dichloro-3,6-dihydroxyoctanedioic acid
CID 56988665
(Z)-2,4,4-trichlorobut-2-enoic acid
CID 18362144
carbonyl dichloride;methanimine;dihydrochloride
CID 173345491
CID 175730085
CID 175730085

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4-tetrachlorobutanoyl chloride?
The IUPAC name of 2,3,4,4-tetrachlorobutanoyl chloride (CID 22644557) is 2,3,4,4-tetrachlorobutanoyl chloride.
What is the SMILES notation for 2,3,4,4-tetrachlorobutanoyl chloride?
The canonical SMILES for 2,3,4,4-tetrachlorobutanoyl chloride is O=C(Cl)C(Cl)C(Cl)C(Cl)Cl.
What is the InChIKey of 2,3,4,4-tetrachlorobutanoyl chloride?
The InChIKey is WCPANQNSIJRSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl5O/c5-1(3(7)8)2(6)4(9)10/h1-3H.
What are the key properties of 2,3,4,4-tetrachlorobutanoyl chloride?
2,3,4,4-tetrachlorobutanoyl chloride has a molecular weight of 244.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetrachlorobutanoyl chloride is sourced from PubChem (CID 22644557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).