bromo-chloro-bis(dimethylamino)phosphanium

C4H12BrClN2P+ — CID 23414954

IUPACbromo-chloro-bis(dimethylamino)phosphanium
SMILESCN(C)[P+](Cl)(Br)N(C)C
InChIInChI=1S/C4H12BrClN2P/c1-7(2)9(5,6)8(3)4/h1-4H3/q+1
InChIKeyKMVPMDPLQDJVDV-UHFFFAOYSA-N
MW234.48 g/mol
LogP2.42
Rot. Bonds2

About bromo-chloro-bis(dimethylamino)phosphanium

bromo-chloro-bis(dimethylamino)phosphanium (PubChem CID 23414954) has the molecular formula C4H12BrClN2P+ and a molecular weight of 234.48 g/mol. Its IUPAC name is bromo-chloro-bis(dimethylamino)phosphanium.

Molecular Properties

Compound Namebromo-chloro-bis(dimethylamino)phosphanium
PubChem CID23414954
Molecular FormulaC4H12BrClN2P+
Molecular Weight234.48 g/mol
Exact Mass232.96
IUPAC Namebromo-chloro-bis(dimethylamino)phosphanium
SMILESCN(C)[P+](Cl)(Br)N(C)C
InChIInChI=1S/C4H12BrClN2P/c1-7(2)9(5,6)8(3)4/h1-4H3/q+1
InChIKeyKMVPMDPLQDJVDV-UHFFFAOYSA-N
XLogP2.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo-chloro-bis(dimethylamino)phosphanium?
The IUPAC name of bromo-chloro-bis(dimethylamino)phosphanium (CID 23414954) is bromo-chloro-bis(dimethylamino)phosphanium.
What is the SMILES notation for bromo-chloro-bis(dimethylamino)phosphanium?
The canonical SMILES for bromo-chloro-bis(dimethylamino)phosphanium is CN(C)[P+](Cl)(Br)N(C)C.
What is the InChIKey of bromo-chloro-bis(dimethylamino)phosphanium?
The InChIKey is KMVPMDPLQDJVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12BrClN2P/c1-7(2)9(5,6)8(3)4/h1-4H3/q+1.
What are the key properties of bromo-chloro-bis(dimethylamino)phosphanium?
bromo-chloro-bis(dimethylamino)phosphanium has a molecular weight of 234.48 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-chloro-bis(dimethylamino)phosphanium is sourced from PubChem (CID 23414954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).