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

C23H26F6LiO2P — CID 173245898

IUPAClithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride
SMILESCCCCC(CC)COc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C23H25F6O2P.Li.H/c1-3-5-7-15(4-2)14-31-16-10-12-17(13-11-16)32-21(30)20-18(22(24,25)26)8-6-9-19(20)23(27,28)29;;/h6,8-13,15,32H,3-5,7,14H2,1-2H3;;/q;+1;-1
InChIKeyPTVOIORORUNQJI-UHFFFAOYSA-N
MW486.36 g/mol
LogP4.58
Rot. Bonds10

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

lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173245898) has the molecular formula C23H26F6LiO2P and a molecular weight of 486.36 g/mol. Its IUPAC name is lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride
PubChem CID173245898
Molecular FormulaC23H26F6LiO2P
Molecular Weight486.36 g/mol
Exact Mass486.17
IUPAC Namelithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride
SMILESCCCCC(CC)COc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C23H25F6O2P.Li.H/c1-3-5-7-15(4-2)14-31-16-10-12-17(13-11-16)32-21(30)20-18(22(24,25)26)8-6-9-19(20)23(27,28)29;;/h6,8-13,15,32H,3-5,7,14H2,1-2H3;;/q;+1;-1
InChIKeyPTVOIORORUNQJI-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244777
[2,6-bis(trifluoromethyl)phenyl]-(4-hexoxyphenyl)phosphanylmethanone
CID 18513556
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173243904
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
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
[2,6-bis(trifluoromethyl)phenyl]-phenylphosphanylmethanone;pentyl acetate
CID 158856572
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173243207
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride
CID 173243882

Frequently Asked Questions

What is the IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride (CID 173245898) is lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride is CCCCC(CC)COc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[H-].[Li+].
What is the InChIKey of lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is PTVOIORORUNQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F6O2P.Li.H/c1-3-5-7-15(4-2)14-31-16-10-12-17(13-11-16)32-21(30)20-18(22(24,25)26)8-6-9-19(20)23(27,28)29;;/h6,8-13,15,32H,3-5,7,14H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride?
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 486.36 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173245898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).