lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide

C9H5Cl5LiOP — CID 141022977

IUPAClithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide
SMILESO=C(CC[PH-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Li+]
InChIInChI=1S/C9H5Cl5OP.Li/c10-5-4(3(15)1-2-16)6(11)8(13)9(14)7(5)12;/h16H,1-2H2;/q-1;+1
InChIKeyHAZYMSRZQPPULS-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.67
Rot. Bonds3

About lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide

lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide (PubChem CID 141022977) has the molecular formula C9H5Cl5LiOP and a molecular weight of 344.32 g/mol. Its IUPAC name is lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide.

Molecular Properties

Compound Namelithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide
PubChem CID141022977
Molecular FormulaC9H5Cl5LiOP
Molecular Weight344.32 g/mol
Exact Mass341.87
IUPAC Namelithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide
SMILESO=C(CC[PH-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Li+]
InChIInChI=1S/C9H5Cl5OP.Li/c10-5-4(3(15)1-2-16)6(11)8(13)9(14)7(5)12;/h16H,1-2H2;/q-1;+1
InChIKeyHAZYMSRZQPPULS-UHFFFAOYSA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide?
The IUPAC name of lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide (CID 141022977) is lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide.
What is the SMILES notation for lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide?
The canonical SMILES for lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide is O=C(CC[PH-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Li+].
What is the InChIKey of lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide?
The InChIKey is HAZYMSRZQPPULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl5OP.Li/c10-5-4(3(15)1-2-16)6(11)8(13)9(14)7(5)12;/h16H,1-2H2;/q-1;+1.
What are the key properties of lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide?
lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide has a molecular weight of 344.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide is sourced from PubChem (CID 141022977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).