phosphanyl 3-chloropropanoate

C3H6ClO2P — CID 174972338

IUPACphosphanyl 3-chloropropanoate
SMILESO=C(CCCl)OP
InChIInChI=1S/C3H6ClO2P/c4-2-1-3(5)6-7/h1-2,7H2
InChIKeyLOMZEPJKNRTWII-UHFFFAOYSA-N
MW140.51 g/mol
LogP0.95
Rot. Bonds2

About phosphanyl 3-chloropropanoate

phosphanyl 3-chloropropanoate (PubChem CID 174972338) has the molecular formula C3H6ClO2P and a molecular weight of 140.51 g/mol. Its IUPAC name is phosphanyl 3-chloropropanoate.

Molecular Properties

Compound Namephosphanyl 3-chloropropanoate
PubChem CID174972338
Molecular FormulaC3H6ClO2P
Molecular Weight140.51 g/mol
Exact Mass139.98
IUPAC Namephosphanyl 3-chloropropanoate
SMILESO=C(CCCl)OP
InChIInChI=1S/C3H6ClO2P/c4-2-1-3(5)6-7/h1-2,7H2
InChIKeyLOMZEPJKNRTWII-UHFFFAOYSA-N
XLogP0.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.51
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloropropanoyloxymethoxycarbonyloxymethyl 3-chloropropanoate
CID 57063468
ethenyl 3-chloropropanoate
CID 13050129
phosphanyl 2-hydroxyacetate
CID 58716328
methyl 3-chloropropanoate;sulfurous acid
CID 174657219
(2,2,2-trifluoroacetyl) 3-chloropropanoate
CID 154350326
[(3R)-3-methoxybutyl] 3-chloropropanoate
CID 129359861
phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate
CID 126593273
5-hydroxypentyl 3-chloropropanoate
CID 101448120
N-bromo-3-chloropropanamide
CID 130655792
3-chloropropanoyl iodide
CID 12715995
3-chloropropanoic acid;indigane
CID 173230746
azane;3-chloropropanoic acid
CID 87695597

Frequently Asked Questions

What is the IUPAC name of phosphanyl 3-chloropropanoate?
The IUPAC name of phosphanyl 3-chloropropanoate (CID 174972338) is phosphanyl 3-chloropropanoate.
What is the SMILES notation for phosphanyl 3-chloropropanoate?
The canonical SMILES for phosphanyl 3-chloropropanoate is O=C(CCCl)OP.
What is the InChIKey of phosphanyl 3-chloropropanoate?
The InChIKey is LOMZEPJKNRTWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClO2P/c4-2-1-3(5)6-7/h1-2,7H2.
What are the key properties of phosphanyl 3-chloropropanoate?
phosphanyl 3-chloropropanoate has a molecular weight of 140.51 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 3-chloropropanoate is sourced from PubChem (CID 174972338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).