lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone

C33H21F6LiO4P+ — CID 18515297

IUPAClithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone
SMILESO=C(Pc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1Oc1ccccc1)c1c(C(F)(F)F)cccc1C(F)(F)F.[Li+]
InChIInChI=1S/C33H21F6O4P.Li/c34-32(35,36)25-17-10-18-26(33(37,38)39)29(25)31(40)44-30-27(42-22-13-6-2-7-14-22)19-24(41-21-11-4-1-5-12-21)20-28(30)43-23-15-8-3-9-16-23;/h1-20,44H;/q;+1
InChIKeyFSVSNKHHBRBNBO-UHFFFAOYSA-N
MW633.43 g/mol
LogP7.25
Rot. Bonds9

About lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone

lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone (PubChem CID 18515297) has the molecular formula C33H21F6LiO4P+ and a molecular weight of 633.43 g/mol. Its IUPAC name is lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Namelithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone
PubChem CID18515297
Molecular FormulaC33H21F6LiO4P+
Molecular Weight633.43 g/mol
Exact Mass633.12
IUPAC Namelithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone
SMILESO=C(Pc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1Oc1ccccc1)c1c(C(F)(F)F)cccc1C(F)(F)F.[Li+]
InChIInChI=1S/C33H21F6O4P.Li/c34-32(35,36)25-17-10-18-26(33(37,38)39)29(25)31(40)44-30-27(42-22-13-6-2-7-14-22)19-24(41-21-11-4-1-5-12-21)20-28(30)43-23-15-8-3-9-16-23;/h1-20,44H;/q;+1
InChIKeyFSVSNKHHBRBNBO-UHFFFAOYSA-N
XLogP7.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.43
LogP ≤ 57.25
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
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride
CID 173243882
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride
CID 173244361
[2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone
CID 18514892
lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride
CID 173243461
2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 163778981
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173245534
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride
CID 173245177
CID 70012958
CID 70012958
3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]phthalic acid
CID 175510558
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
[2,4-bis(3-methylbutoxy)phenyl]phosphanyl-[2,6-bis(trifluoromethyl)phenyl]methanone
CID 18515186

Frequently Asked Questions

What is the IUPAC name of lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone?
The IUPAC name of lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone (CID 18515297) is lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone.
What is the SMILES notation for lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone?
The canonical SMILES for lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone is O=C(Pc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1Oc1ccccc1)c1c(C(F)(F)F)cccc1C(F)(F)F.[Li+].
What is the InChIKey of lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone?
The InChIKey is FSVSNKHHBRBNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F6O4P.Li/c34-32(35,36)25-17-10-18-26(33(37,38)39)29(25)31(40)44-30-27(42-22-13-6-2-7-14-22)19-24(41-21-11-4-1-5-12-21)20-28(30)43-23-15-8-3-9-16-23;/h1-20,44H;/q;+1.
What are the key properties of lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone?
lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone has a molecular weight of 633.43 g/mol, XLogP of 7.25, 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)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 18515297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).