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

C24H28F6LiO4P — CID 173243882

IUPAClithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride
SMILESCCCOc1cc(OCCC)c(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OCCC)c1.[H-].[Li+]
InChIInChI=1S/C24H27F6O4P.Li.H/c1-4-10-32-15-13-18(33-11-5-2)21(19(14-15)34-12-6-3)35-22(31)20-16(23(25,26)27)8-7-9-17(20)24(28,29)30;;/h7-9,13-14,35H,4-6,10-12H2,1-3H3;;/q;+1;-1
InChIKeyWAANDRMCURUYBB-UHFFFAOYSA-N
MW532.39 g/mol
LogP4.35
Rot. Bonds12

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

lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride (PubChem CID 173243882) has the molecular formula C24H28F6LiO4P and a molecular weight of 532.39 g/mol. Its IUPAC name is lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride
PubChem CID173243882
Molecular FormulaC24H28F6LiO4P
Molecular Weight532.39 g/mol
Exact Mass532.18
IUPAC Namelithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride
SMILESCCCOc1cc(OCCC)c(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OCCC)c1.[H-].[Li+]
InChIInChI=1S/C24H27F6O4P.Li.H/c1-4-10-32-15-13-18(33-11-5-2)21(19(14-15)34-12-6-3)35-22(31)20-16(23(25,26)27)8-7-9-17(20)24(28,29)30;;/h7-9,13-14,35H,4-6,10-12H2,1-3H3;;/q;+1;-1
InChIKeyWAANDRMCURUYBB-UHFFFAOYSA-N
XLogP4.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium [2,6-bis(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514583
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone
CID 18514442
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244643
lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone
CID 18515297
[2,4-bis(3-methylbutoxy)phenyl]phosphanyl-[2,6-bis(trifluoromethyl)phenyl]methanone
CID 18515186
[2,6-bis(trifluoromethyl)phenyl]-(4-hexoxyphenyl)phosphanylmethanone
CID 18513556
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride
CID 173244361
lithium;hydride;(2,4,6-trimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 173244414
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-trihexoxyphenyl)phosphanylmethanone;hydride
CID 173245452
lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride
CID 173244560
(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514095
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 18513888

Frequently Asked Questions

What is the IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride (CID 173243882) is lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride is CCCOc1cc(OCCC)c(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OCCC)c1.[H-].[Li+].
What is the InChIKey of lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride?
The InChIKey is WAANDRMCURUYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F6O4P.Li.H/c1-4-10-32-15-13-18(33-11-5-2)21(19(14-15)34-12-6-3)35-22(31)20-16(23(25,26)27)8-7-9-17(20)24(28,29)30;;/h7-9,13-14,35H,4-6,10-12H2,1-3H3;;/q;+1;-1.
What are the key properties of lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride?
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride has a molecular weight of 532.39 g/mol, XLogP of 4.35, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173243882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).