(2R)-2-(3-chlorophenyl)butanedioyl dichloride

C10H7Cl3O2 — CID 98129440

IUPAC(2R)-2-(3-chlorophenyl)butanedioyl dichloride
SMILESO=C(Cl)C[C@@H](C(=O)Cl)c1cccc(Cl)c1
InChIInChI=1S/C10H7Cl3O2/c11-7-3-1-2-6(4-7)8(10(13)15)5-9(12)14/h1-4,8H,5H2/t8-/m1/s1
InChIKeyJZHWHMNIQCGUHO-MRVPVSSYSA-N
MW265.52 g/mol
LogP3.34
Rot. Bonds4

About (2R)-2-(3-chlorophenyl)butanedioyl dichloride

(2R)-2-(3-chlorophenyl)butanedioyl dichloride (PubChem CID 98129440) has the molecular formula C10H7Cl3O2 and a molecular weight of 265.52 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)butanedioyl dichloride.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)butanedioyl dichloride
PubChem CID98129440
Molecular FormulaC10H7Cl3O2
Molecular Weight265.52 g/mol
Exact Mass263.95
IUPAC Name(2R)-2-(3-chlorophenyl)butanedioyl dichloride
SMILESO=C(Cl)C[C@@H](C(=O)Cl)c1cccc(Cl)c1
InChIInChI=1S/C10H7Cl3O2/c11-7-3-1-2-6(4-7)8(10(13)15)5-9(12)14/h1-4,8H,5H2/t8-/m1/s1
InChIKeyJZHWHMNIQCGUHO-MRVPVSSYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-chlorophenyl)butanediamide
CID 94675074
3-(3-chlorophenyl)butanoic acid
CID 71683749
3-amino-3-(3-chlorophenyl)propanoate
CID 22608540
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
benzhydryl (2R)-2-(3-chlorophenyl)butanoate
CID 25198719
2-(3-chlorophenyl)-5-methylhex-4-enoic acid
CID 79440640
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
2-(3-chlorophenyl)-6-methylheptanoic acid
CID 83158941
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
(3-chlorophenyl)methanediol
CID 20679602
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)butanedioyl dichloride?
The IUPAC name of (2R)-2-(3-chlorophenyl)butanedioyl dichloride (CID 98129440) is (2R)-2-(3-chlorophenyl)butanedioyl dichloride.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)butanedioyl dichloride?
The canonical SMILES for (2R)-2-(3-chlorophenyl)butanedioyl dichloride is O=C(Cl)C[C@@H](C(=O)Cl)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)butanedioyl dichloride?
The InChIKey is JZHWHMNIQCGUHO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H7Cl3O2/c11-7-3-1-2-6(4-7)8(10(13)15)5-9(12)14/h1-4,8H,5H2/t8-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)butanedioyl dichloride?
(2R)-2-(3-chlorophenyl)butanedioyl dichloride has a molecular weight of 265.52 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)butanedioyl dichloride is sourced from PubChem (CID 98129440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).