lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide

C11H11Cl3LiOP — CID 141022914

IUPAClithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide
SMILESO=C(CCCC[PH-])c1c(Cl)cc(Cl)cc1Cl.[Li+]
InChIInChI=1S/C11H11Cl3OP.Li/c12-7-5-8(13)11(9(14)6-7)10(15)3-1-2-4-16;/h5-6,16H,1-4H2;/q-1;+1
InChIKeyUFGWEMUFFREPAO-UHFFFAOYSA-N
MW303.48 g/mol
LogP2.15
Rot. Bonds5

About lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide

lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide (PubChem CID 141022914) has the molecular formula C11H11Cl3LiOP and a molecular weight of 303.48 g/mol. Its IUPAC name is lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide.

Molecular Properties

Compound Namelithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide
PubChem CID141022914
Molecular FormulaC11H11Cl3LiOP
Molecular Weight303.48 g/mol
Exact Mass301.98
IUPAC Namelithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide
SMILESO=C(CCCC[PH-])c1c(Cl)cc(Cl)cc1Cl.[Li+]
InChIInChI=1S/C11H11Cl3OP.Li/c12-7-5-8(13)11(9(14)6-7)10(15)3-1-2-4-16;/h5-6,16H,1-4H2;/q-1;+1
InChIKeyUFGWEMUFFREPAO-UHFFFAOYSA-N
XLogP2.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide
CID 141023129
[5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide
CID 141023153
2-amino-1-(2,4,6-trichlorophenyl)ethanone
CID 70444583
[5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide
CID 141022839
6-oxo-6-(2,3,4,6-tetrachlorophenyl)hexanoic acid
CID 105349529
lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide
CID 141022977
1-(2,4-dichloro-6-fluorophenyl)butan-1-one
CID 130067754
2-phenyl-1-(2,4,6-trichlorophenyl)ethanone
CID 105349057
1-(2,6-dichlorophenyl)heptan-1-one
CID 114966663
6-bromo-1-(2,6-dichlorophenyl)hexan-1-one
CID 146009476
2,4,6-trichlorobenzoyl fluoride
CID 154123611
1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
CID 21284637

Frequently Asked Questions

What is the IUPAC name of lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide?
The IUPAC name of lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide (CID 141022914) is lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide.
What is the SMILES notation for lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide?
The canonical SMILES for lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide is O=C(CCCC[PH-])c1c(Cl)cc(Cl)cc1Cl.[Li+].
What is the InChIKey of lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide?
The InChIKey is UFGWEMUFFREPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3OP.Li/c12-7-5-8(13)11(9(14)6-7)10(15)3-1-2-4-16;/h5-6,16H,1-4H2;/q-1;+1.
What are the key properties of lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide?
lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide has a molecular weight of 303.48 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide is sourced from PubChem (CID 141022914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).