lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone

C17H17F3LiO2P — CID 174394893

IUPAClithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone
SMILESCCCOc1ccc(P(C(=O)c2ccccc2)C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C17H16F3O2P.Li.H/c1-2-12-22-14-8-10-15(11-9-14)23(17(18,19)20)16(21)13-6-4-3-5-7-13;;/h3-11H,2,12H2,1H3;;/q;+1;-1
InChIKeyBEODOWMWIMLLLZ-UHFFFAOYSA-N
MW348.23 g/mol
LogP2.06
Rot. Bonds6

About lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone

lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone (PubChem CID 174394893) has the molecular formula C17H17F3LiO2P and a molecular weight of 348.23 g/mol. Its IUPAC name is lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone.

Molecular Properties

Compound Namelithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone
PubChem CID174394893
Molecular FormulaC17H17F3LiO2P
Molecular Weight348.23 g/mol
Exact Mass348.11
IUPAC Namelithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone
SMILESCCCOc1ccc(P(C(=O)c2ccccc2)C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C17H16F3O2P.Li.H/c1-2-12-22-14-8-10-15(11-9-14)23(17(18,19)20)16(21)13-6-4-3-5-7-13;;/h3-11H,2,12H2,1H3;;/q;+1;-1
InChIKeyBEODOWMWIMLLLZ-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone?
The IUPAC name of lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone (CID 174394893) is lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone.
What is the SMILES notation for lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone?
The canonical SMILES for lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone is CCCOc1ccc(P(C(=O)c2ccccc2)C(F)(F)F)cc1.[H-].[Li+].
What is the InChIKey of lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone?
The InChIKey is BEODOWMWIMLLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3O2P.Li.H/c1-2-12-22-14-8-10-15(11-9-14)23(17(18,19)20)16(21)13-6-4-3-5-7-13;;/h3-11H,2,12H2,1H3;;/q;+1;-1.
What are the key properties of lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone?
lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone has a molecular weight of 348.23 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;phenyl-[(4-propoxyphenyl)-(trifluoromethyl)phosphanyl]methanone is sourced from PubChem (CID 174394893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).