chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid

C7H17ClNO3P — CID 19786291

IUPACchloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid
SMILESCC(C)N(COOP(O)Cl)C(C)C
InChIInChI=1S/C7H17ClNO3P/c1-6(2)9(7(3)4)5-11-12-13(8)10/h6-7,10H,5H2,1-4H3
InChIKeyNKOBWDNHKFLBTA-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.47
Rot. Bonds6

About chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid

chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid (PubChem CID 19786291) has the molecular formula C7H17ClNO3P and a molecular weight of 229.64 g/mol. Its IUPAC name is chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid.

Molecular Properties

Compound Namechloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid
PubChem CID19786291
Molecular FormulaC7H17ClNO3P
Molecular Weight229.64 g/mol
Exact Mass229.06
IUPAC Namechloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid
SMILESCC(C)N(COOP(O)Cl)C(C)C
InChIInChI=1S/C7H17ClNO3P/c1-6(2)9(7(3)4)5-11-12-13(8)10/h6-7,10H,5H2,1-4H3
InChIKeyNKOBWDNHKFLBTA-UHFFFAOYSA-N
XLogP2.47
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[chloro(hydroxy)phosphanyl]-ethoxy-di(propan-2-yl)azanium
CID 87534494
(2-chloro-2-cyanoethyl)peroxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 54084108
N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine
CID 118053933
N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
CID 159144844
N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
CID 71309796
(2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 98184716
phosphorous acid;tetramethylphosphanium
CID 87583663
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate
CID 87772214
[butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite
CID 88635380
N-[chloro(ethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 14867282

Frequently Asked Questions

What is the IUPAC name of chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid?
The IUPAC name of chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid (CID 19786291) is chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid.
What is the SMILES notation for chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid?
The canonical SMILES for chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid is CC(C)N(COOP(O)Cl)C(C)C.
What is the InChIKey of chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid?
The InChIKey is NKOBWDNHKFLBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClNO3P/c1-6(2)9(7(3)4)5-11-12-13(8)10/h6-7,10H,5H2,1-4H3.
What are the key properties of chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid?
chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid has a molecular weight of 229.64 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid is sourced from PubChem (CID 19786291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).