trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium

C3H6Cl6NP2+ — CID 170100722

IUPACtrichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium
SMILESCC(C)(N=P(Cl)(Cl)Cl)[P+](Cl)(Cl)Cl
InChIInChI=1S/C3H6Cl6NP2/c1-3(2,11(4,5)6)10-12(7,8)9/h1-2H3/q+1
InChIKeyOZCBZCJFQCUXGK-UHFFFAOYSA-N
MW330.75 g/mol
LogP6.86
Rot. Bonds2

About trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium

trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium (PubChem CID 170100722) has the molecular formula C3H6Cl6NP2+ and a molecular weight of 330.75 g/mol. Its IUPAC name is trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium.

Molecular Properties

Compound Nametrichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium
PubChem CID170100722
Molecular FormulaC3H6Cl6NP2+
Molecular Weight330.75 g/mol
Exact Mass327.81
IUPAC Nametrichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium
SMILESCC(C)(N=P(Cl)(Cl)Cl)[P+](Cl)(Cl)Cl
InChIInChI=1S/C3H6Cl6NP2/c1-3(2,11(4,5)6)10-12(7,8)9/h1-2H3/q+1
InChIKeyOZCBZCJFQCUXGK-UHFFFAOYSA-N
XLogP6.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.75
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trichloro(methylimino)-lambda5-phosphane
CID 12670089
trichloro(propan-2-ylimino)-λ5-phosphane
CID 101200111
N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine
CID 13354586
tert-butyl-dichloro-selanylidene-lambda5-phosphane
CID 15733913
chloromethane;2,2-dimethylpropane
CID 142899692
1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane
CID 167651170
(1R)-1-chloro-1,2-difluoro-2-methylpropane
CID 129383496
2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane)
CID 157404199
(3-chloro-2-methylhept-6-en-2-yl)silane
CID 173227079
bis(2,4,4-trimethylpentyl)phosphane
CID 19428770
dichloromethyl(methyl)phosphane
CID 141275660
[1-chloro-1-[(trimethyl-λ5-phosphanylidene)amino]ethyl]imino-trimethyl-λ5-phosphane
CID 170059366

Frequently Asked Questions

What is the IUPAC name of trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium?
The IUPAC name of trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium (CID 170100722) is trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium.
What is the SMILES notation for trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium?
The canonical SMILES for trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium is CC(C)(N=P(Cl)(Cl)Cl)[P+](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium?
The InChIKey is OZCBZCJFQCUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl6NP2/c1-3(2,11(4,5)6)10-12(7,8)9/h1-2H3/q+1.
What are the key properties of trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium?
trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium has a molecular weight of 330.75 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[2-[(trichloro-λ5-phosphanylidene)amino]propan-2-yl]phosphanium is sourced from PubChem (CID 170100722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).