chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine)

C12H32ClN2O2P — CID 118235910

IUPACchlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine)
SMILESCC(C)NC(C)C.CC(C)NC(C)C.OP(O)Cl
InChIInChI=1S/2C6H15N.ClH2O2P/c2*1-5(2)7-6(3)4;1-4(2)3/h2*5-7H,1-4H3;2-3H
InChIKeyKOKITZGSFZHSQK-UHFFFAOYSA-N
MW302.83 g/mol
LogP3.22
Rot. Bonds4

About chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine)

chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine) (PubChem CID 118235910) has the molecular formula C12H32ClN2O2P and a molecular weight of 302.83 g/mol. Its IUPAC name is chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine).

Molecular Properties

Compound Namechlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine)
PubChem CID118235910
Molecular FormulaC12H32ClN2O2P
Molecular Weight302.83 g/mol
Exact Mass302.19
IUPAC Namechlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine)
SMILESCC(C)NC(C)C.CC(C)NC(C)C.OP(O)Cl
InChIInChI=1S/2C6H15N.ClH2O2P/c2*1-5(2)7-6(3)4;1-4(2)3/h2*5-7H,1-4H3;2-3H
InChIKeyKOKITZGSFZHSQK-UHFFFAOYSA-N
XLogP3.22
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 53.22
H-Bond Donors ≤ 54
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 chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine)?
The IUPAC name of chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine) (CID 118235910) is chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine).
What is the SMILES notation for chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine)?
The canonical SMILES for chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine) is CC(C)NC(C)C.CC(C)NC(C)C.OP(O)Cl.
What is the InChIKey of chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine)?
The InChIKey is KOKITZGSFZHSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N.ClH2O2P/c2*1-5(2)7-6(3)4;1-4(2)3/h2*5-7H,1-4H3;2-3H.
What are the key properties of chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine)?
chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine) has a molecular weight of 302.83 g/mol, XLogP of 3.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorophosphonous acid;bis(N-propan-2-ylpropan-2-amine) is sourced from PubChem (CID 118235910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).