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

C16H12F6LiOP — CID 173245177

IUPAClithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride
SMILESCc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C16H11F6OP.Li.H/c1-9-5-7-10(8-6-9)24-14(23)13-11(15(17,18)19)3-2-4-12(13)16(20,21)22;;/h2-8,24H,1H3;;/q;+1;-1
InChIKeyHBCHUIGMHCWKJT-UHFFFAOYSA-N
MW372.17 g/mol
LogP2.29
Rot. Bonds3

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

lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride (PubChem CID 173245177) has the molecular formula C16H12F6LiOP and a molecular weight of 372.17 g/mol. Its IUPAC name is lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride
PubChem CID173245177
Molecular FormulaC16H12F6LiOP
Molecular Weight372.17 g/mol
Exact Mass372.07
IUPAC Namelithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride
SMILESCc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C16H11F6OP.Li.H/c1-9-5-7-10(8-6-9)24-14(23)13-11(15(17,18)19)3-2-4-12(13)16(20,21)22;;/h2-8,24H,1H3;;/q;+1;-1
InChIKeyHBCHUIGMHCWKJT-UHFFFAOYSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride (CID 173245177) is lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride is Cc1ccc(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-methylphenyl)phosphanylmethanone;hydride?
The InChIKey is HBCHUIGMHCWKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6OP.Li.H/c1-9-5-7-10(8-6-9)24-14(23)13-11(15(17,18)19)3-2-4-12(13)16(20,21)22;;/h2-8,24H,1H3;;/q;+1;-1.
What are the key properties of lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride?
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride has a molecular weight of 372.17 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173245177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).