lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride

C17H14F6LiO3P — CID 173244361

IUPAClithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride
SMILESCOc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OC)c1.[H-].[Li+]
InChIInChI=1S/C17H13F6O3P.Li.H/c1-25-9-6-7-13(12(8-9)26-2)27-15(24)14-10(16(18,19)20)4-3-5-11(14)17(21,22)23;;/h3-8,27H,1-2H3;;/q;+1;-1
InChIKeySGIRMDWECHTFGQ-UHFFFAOYSA-N
MW418.20 g/mol
LogP2.00
Rot. Bonds5

About lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride

lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride (PubChem CID 173244361) has the molecular formula C17H14F6LiO3P and a molecular weight of 418.20 g/mol. Its IUPAC name is lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride
PubChem CID173244361
Molecular FormulaC17H14F6LiO3P
Molecular Weight418.20 g/mol
Exact Mass418.07
IUPAC Namelithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride
SMILESCOc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OC)c1.[H-].[Li+]
InChIInChI=1S/C17H13F6O3P.Li.H/c1-25-9-6-7-13(12(8-9)26-2)27-15(24)14-10(16(18,19)20)4-3-5-11(14)17(21,22)23;;/h3-8,27H,1-2H3;;/q;+1;-1
InChIKeySGIRMDWECHTFGQ-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
[2,4-bis(3-methylbutoxy)phenyl]phosphanyl-[2,6-bis(trifluoromethyl)phenyl]methanone
CID 18515186
[2,6-bis(trifluoromethyl)phenyl]-[4-(1-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 173244485
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173245534
CID 70014312
CID 70014312
[2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone
CID 18514892
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
lithium [2,6-bis(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514583
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride
CID 173245177
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride
CID 173243882
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244777
lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone
CID 18515297

Frequently Asked Questions

What is the IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride (CID 173244361) is lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride is COc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OC)c1.[H-].[Li+].
What is the InChIKey of lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride?
The InChIKey is SGIRMDWECHTFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6O3P.Li.H/c1-25-9-6-7-13(12(8-9)26-2)27-15(24)14-10(16(18,19)20)4-3-5-11(14)17(21,22)23;;/h3-8,27H,1-2H3;;/q;+1;-1.
What are the key properties of lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride?
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride has a molecular weight of 418.20 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173244361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).