chloro(propan-2-yloxy)phosphinic acid

C3H8ClO3P — CID 14957584

IUPACchloro(propan-2-yloxy)phosphinic acid
SMILESCC(C)OP(=O)(O)Cl
InChIInChI=1S/C3H8ClO3P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H,5,6)
InChIKeyFDFMMYVUYMCIBH-UHFFFAOYSA-N
MW158.52 g/mol
LogP1.75
Rot. Bonds2

About chloro(propan-2-yloxy)phosphinic acid

chloro(propan-2-yloxy)phosphinic acid (PubChem CID 14957584) has the molecular formula C3H8ClO3P and a molecular weight of 158.52 g/mol. Its IUPAC name is chloro(propan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Namechloro(propan-2-yloxy)phosphinic acid
PubChem CID14957584
Molecular FormulaC3H8ClO3P
Molecular Weight158.52 g/mol
Exact Mass157.99
IUPAC Namechloro(propan-2-yloxy)phosphinic acid
SMILESCC(C)OP(=O)(O)Cl
InChIInChI=1S/C3H8ClO3P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H,5,6)
InChIKeyFDFMMYVUYMCIBH-UHFFFAOYSA-N
XLogP1.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Monoisopropyl phosphate
CID 15391
Isopropyl methylphosphonate
CID 15778
Diisopropyl phosphate
CID 74162
2-Propyl methylphosphonochloridate
CID 102124
O,O-Diisopropyl phosphonate
CID 6327350
Diisopropyl Phosphorochloridate
CID 164989
(Oxo(propoxy)-lambda~5~-phosphanylidene)oxidanium
CID 6328099
Butan-2-yl dihydrogen phosphate
CID 237877
Mercury, chloro(diisopropoxyphosphinyl)-
CID 44897
Monoisopropyl ester phosphonic acid group
CID 6383950
propan-2-yl hydrogen (R)-ethylphosphonate
CID 12459493
Isopropyl methyl phosphonate
CID 6453137

Frequently Asked Questions

What is the IUPAC name of chloro(propan-2-yloxy)phosphinic acid?
The IUPAC name of chloro(propan-2-yloxy)phosphinic acid (CID 14957584) is chloro(propan-2-yloxy)phosphinic acid.
What is the SMILES notation for chloro(propan-2-yloxy)phosphinic acid?
The canonical SMILES for chloro(propan-2-yloxy)phosphinic acid is CC(C)OP(=O)(O)Cl.
What is the InChIKey of chloro(propan-2-yloxy)phosphinic acid?
The InChIKey is FDFMMYVUYMCIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClO3P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H,5,6).
What are the key properties of chloro(propan-2-yloxy)phosphinic acid?
chloro(propan-2-yloxy)phosphinic acid has a molecular weight of 158.52 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(propan-2-yloxy)phosphinic acid is sourced from PubChem (CID 14957584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).