lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide

C24H26F6LiO4P — CID 141016860

IUPAClithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide
SMILESCC(C)Oc1cc(OC(C)C)c([P-]C(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OC(C)C)c1.[Li+]
InChIInChI=1S/C24H26F6O4P.Li/c1-12(2)32-15-10-18(33-13(3)4)21(19(11-15)34-14(5)6)35-22(31)20-16(23(25,26)27)8-7-9-17(20)24(28,29)30;/h7-14H,1-6H3;/q-1;+1
InChIKeyRSKATICYUGRRBD-UHFFFAOYSA-N
MW530.37 g/mol
LogP4.50
Rot. Bonds9

About lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide

lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide (PubChem CID 141016860) has the molecular formula C24H26F6LiO4P and a molecular weight of 530.37 g/mol. Its IUPAC name is lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide.

Molecular Properties

Compound Namelithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide
PubChem CID141016860
Molecular FormulaC24H26F6LiO4P
Molecular Weight530.37 g/mol
Exact Mass530.16
IUPAC Namelithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide
SMILESCC(C)Oc1cc(OC(C)C)c([P-]C(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OC(C)C)c1.[Li+]
InChIInChI=1S/C24H26F6O4P.Li/c1-12(2)32-15-10-18(33-13(3)4)21(19(11-15)34-14(5)6)35-22(31)20-16(23(25,26)27)8-7-9-17(20)24(28,29)30;/h7-14H,1-6H3;/q-1;+1
InChIKeyRSKATICYUGRRBD-UHFFFAOYSA-N
XLogP4.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.37
LogP ≤ 54.50
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
propan-2-yl 2-methyl-6-(trifluoromethyl)benzoate
CID 150068549
1-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]ethanone
CID 118619612
1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 154837682
2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide
CID 155906671
2,2-difluoro-3-hydroxy-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 62397851
2-propan-2-yloxy-4-(trifluoromethylsulfonyloxy)benzoic acid
CID 23090775
1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 175665810
[2,6-bis(trifluoromethyl)phenyl]-[2-methylpropyl-(2,4,6-trimethoxybenzoyl)phosphoryl]methanone
CID 22183706
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride
CID 173244361
2-bromo-1-[2-iodo-6-(trifluoromethyl)phenyl]propan-1-one
CID 119002701
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244777

Frequently Asked Questions

What is the IUPAC name of lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide?
The IUPAC name of lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide (CID 141016860) is lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide.
What is the SMILES notation for lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide?
The canonical SMILES for lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide is CC(C)Oc1cc(OC(C)C)c([P-]C(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OC(C)C)c1.[Li+].
What is the InChIKey of lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide?
The InChIKey is RSKATICYUGRRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6O4P.Li/c1-12(2)32-15-10-18(33-13(3)4)21(19(11-15)34-14(5)6)35-22(31)20-16(23(25,26)27)8-7-9-17(20)24(28,29)30;/h7-14H,1-6H3;/q-1;+1.
What are the key properties of lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide?
lithium [2,6-bis(trifluoromethyl)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide has a molecular weight of 530.37 g/mol, XLogP of 4.50, 9 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)benzoyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanide is sourced from PubChem (CID 141016860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).