chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid

C6H13ClNO3P — CID 123139392

IUPACchloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid
SMILESCC(C)OC(=O)C(C)NP(O)Cl
InChIInChI=1S/C6H13ClNO3P/c1-4(2)11-6(9)5(3)8-12(7)10/h4-5,8,10H,1-3H3
InChIKeyPRMGVCRFNYEYBF-UHFFFAOYSA-N
MW213.60 g/mol
LogP1.37
Rot. Bonds4

About chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid

chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid (PubChem CID 123139392) has the molecular formula C6H13ClNO3P and a molecular weight of 213.60 g/mol. Its IUPAC name is chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid.

Molecular Properties

Compound Namechloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid
PubChem CID123139392
Molecular FormulaC6H13ClNO3P
Molecular Weight213.60 g/mol
Exact Mass213.03
IUPAC Namechloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid
SMILESCC(C)OC(=O)C(C)NP(O)Cl
InChIInChI=1S/C6H13ClNO3P/c1-4(2)11-6(9)5(3)8-12(7)10/h4-5,8,10H,1-3H3
InChIKeyPRMGVCRFNYEYBF-UHFFFAOYSA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.60
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid?
The IUPAC name of chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid (CID 123139392) is chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid.
What is the SMILES notation for chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid?
The canonical SMILES for chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid is CC(C)OC(=O)C(C)NP(O)Cl.
What is the InChIKey of chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid?
The InChIKey is PRMGVCRFNYEYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClNO3P/c1-4(2)11-6(9)5(3)8-12(7)10/h4-5,8,10H,1-3H3.
What are the key properties of chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid?
chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid has a molecular weight of 213.60 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid is sourced from PubChem (CID 123139392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).