(3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride

C5H9Cl2O3P — CID 88803334

IUPAC(3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride
SMILESC=CP(=O)(O)CCC(=O)Cl.Cl
InChIInChI=1S/C5H8ClO3P.ClH/c1-2-10(8,9)4-3-5(6)7;/h2H,1,3-4H2,(H,8,9);1H
InChIKeyGUTQAYWZHOUYHN-UHFFFAOYSA-N
MW219.00 g/mol
LogP1.98
Rot. Bonds4

About (3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride

(3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride (PubChem CID 88803334) has the molecular formula C5H9Cl2O3P and a molecular weight of 219.00 g/mol. Its IUPAC name is (3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride.

Molecular Properties

Compound Name(3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride
PubChem CID88803334
Molecular FormulaC5H9Cl2O3P
Molecular Weight219.00 g/mol
Exact Mass217.97
IUPAC Name(3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride
SMILESC=CP(=O)(O)CCC(=O)Cl.Cl
InChIInChI=1S/C5H8ClO3P.ClH/c1-2-10(8,9)4-3-5(6)7;/h2H,1,3-4H2,(H,8,9);1H
InChIKeyGUTQAYWZHOUYHN-UHFFFAOYSA-N
XLogP1.98
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.00
LogP ≤ 51.98
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(methyl)phosphoryl]propanoyl chloride
CID 10943248
butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride
CID 88803744
[ethenyl(hydroxy)phosphoryl]methylphosphonic acid
CID 21059595
(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride
CID 88803274
3-[chloro(ethyl)phosphoryl]propanoyl chloride
CID 2785341
(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142
[(1E)-2-chlorobuta-1,3-dienyl]phosphonic acid
CID 88799713
carbonochloridic acid;prop-2-enyl dihydrogen phosphate
CID 174647685
hept-6-en-4-ynoyl chloride
CID 155621809
dimethylphosphorylmethane;nonanoyl chloride
CID 91004797
bis(prop-2-enyl)phosphinic acid;hydrochloride
CID 88719612
ethenylphosphonic acid;propane-1,3-diol
CID 159146855

Frequently Asked Questions

What is the IUPAC name of (3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride?
The IUPAC name of (3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride (CID 88803334) is (3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride.
What is the SMILES notation for (3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride?
The canonical SMILES for (3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride is C=CP(=O)(O)CCC(=O)Cl.Cl.
What is the InChIKey of (3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride?
The InChIKey is GUTQAYWZHOUYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClO3P.ClH/c1-2-10(8,9)4-3-5(6)7;/h2H,1,3-4H2,(H,8,9);1H.
What are the key properties of (3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride?
(3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride has a molecular weight of 219.00 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride is sourced from PubChem (CID 88803334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).