butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride

C7H15Cl2O3P — CID 88803744

IUPACbutyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride
SMILESCCCCP(=O)(O)CCC(=O)Cl.Cl
InChIInChI=1S/C7H14ClO3P.ClH/c1-2-3-5-12(10,11)6-4-7(8)9;/h2-6H2,1H3,(H,10,11);1H
InChIKeyWTCDBOSOBSUUSV-UHFFFAOYSA-N
MW249.07 g/mol
LogP2.63
Rot. Bonds6

About butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride

butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride (PubChem CID 88803744) has the molecular formula C7H15Cl2O3P and a molecular weight of 249.07 g/mol. Its IUPAC name is butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride.

Molecular Properties

Compound Namebutyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride
PubChem CID88803744
Molecular FormulaC7H15Cl2O3P
Molecular Weight249.07 g/mol
Exact Mass248.01
IUPAC Namebutyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride
SMILESCCCCP(=O)(O)CCC(=O)Cl.Cl
InChIInChI=1S/C7H14ClO3P.ClH/c1-2-3-5-12(10,11)6-4-7(8)9;/h2-6H2,1H3,(H,10,11);1H
InChIKeyWTCDBOSOBSUUSV-UHFFFAOYSA-N
XLogP2.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride
CID 88803274
alumane;butyl(propyl)phosphinic acid
CID 174987333
3-[dodecyl(hydroxy)phosphoryl]propanoic acid
CID 19011094
butyl(2-hydroxyethyl)phosphinic acid
CID 87233440
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046
dimethylphosphorylmethane;nonanoyl chloride
CID 91004797
pentanoyl chloride;hydrofluoride
CID 174423538
dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
nonadecanoyl chloride
CID 4250939
3-[chloro(ethyl)phosphoryl]propanoyl chloride
CID 2785341

Frequently Asked Questions

What is the IUPAC name of butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride?
The IUPAC name of butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride (CID 88803744) is butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride.
What is the SMILES notation for butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride?
The canonical SMILES for butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride is CCCCP(=O)(O)CCC(=O)Cl.Cl.
What is the InChIKey of butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride?
The InChIKey is WTCDBOSOBSUUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClO3P.ClH/c1-2-3-5-12(10,11)6-4-7(8)9;/h2-6H2,1H3,(H,10,11);1H.
What are the key properties of butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride?
butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride has a molecular weight of 249.07 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride is sourced from PubChem (CID 88803744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).