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

C19H18F6LiO3P — CID 173244560

IUPAClithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride
SMILESCCOc1cc(C(F)(F)F)c(C(=O)Pc2ccccc2OCC)c(C(F)(F)F)c1.[H-].[Li+]
InChIInChI=1S/C19H17F6O3P.Li.H/c1-3-27-11-9-12(18(20,21)22)16(13(10-11)19(23,24)25)17(26)29-15-8-6-5-7-14(15)28-4-2;;/h5-10,29H,3-4H2,1-2H3;;/q;+1;-1
InChIKeyGIURPBUVTNNUGS-UHFFFAOYSA-N
MW446.25 g/mol
LogP2.78
Rot. Bonds7

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

lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride (PubChem CID 173244560) has the molecular formula C19H18F6LiO3P and a molecular weight of 446.25 g/mol. Its IUPAC name is lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride
PubChem CID173244560
Molecular FormulaC19H18F6LiO3P
Molecular Weight446.25 g/mol
Exact Mass446.11
IUPAC Namelithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride
SMILESCCOc1cc(C(F)(F)F)c(C(=O)Pc2ccccc2OCC)c(C(F)(F)F)c1.[H-].[Li+]
InChIInChI=1S/C19H17F6O3P.Li.H/c1-3-27-11-9-12(18(20,21)22)16(13(10-11)19(23,24)25)17(26)29-15-8-6-5-7-14(15)28-4-2;;/h5-10,29H,3-4H2,1-2H3;;/q;+1;-1
InChIKeyGIURPBUVTNNUGS-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.25
LogP ≤ 52.78
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

(2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone
CID 18514642
(2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70014873
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride
CID 173243882
[2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone
CID 18514892
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
[2,4-bis(3-methylbutoxy)phenyl]phosphanyl-[2,6-bis(trifluoromethyl)phenyl]methanone
CID 18515186
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone
CID 91864206
CID 70015738
CID 70015738
CID 70013385
CID 70013385
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168

Frequently Asked Questions

What is the IUPAC name of lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride (CID 173244560) is lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride is CCOc1cc(C(F)(F)F)c(C(=O)Pc2ccccc2OCC)c(C(F)(F)F)c1.[H-].[Li+].
What is the InChIKey of lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride?
The InChIKey is GIURPBUVTNNUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6O3P.Li.H/c1-3-27-11-9-12(18(20,21)22)16(13(10-11)19(23,24)25)17(26)29-15-8-6-5-7-14(15)28-4-2;;/h5-10,29H,3-4H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride?
lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride has a molecular weight of 446.25 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173244560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).