lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone

C14H11F3LiOP — CID 174384467

IUPAClithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(Pc1ccccc1)c1ccccc1C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C14H10F3OP.Li.H/c15-14(16,17)12-9-5-4-8-11(12)13(18)19-10-6-2-1-3-7-10;;/h1-9,19H;;/q;+1;-1
InChIKeyKTSPJZBRTNKLBK-UHFFFAOYSA-N
MW290.15 g/mol
LogP0.97
Rot. Bonds3

About lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone

lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 174384467) has the molecular formula C14H11F3LiOP and a molecular weight of 290.15 g/mol. Its IUPAC name is lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namelithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone
PubChem CID174384467
Molecular FormulaC14H11F3LiOP
Molecular Weight290.15 g/mol
Exact Mass290.07
IUPAC Namelithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(Pc1ccccc1)c1ccccc1C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C14H10F3OP.Li.H/c15-14(16,17)12-9-5-4-8-11(12)13(18)19-10-6-2-1-3-7-10;;/h1-9,19H;;/q;+1;-1
InChIKeyKTSPJZBRTNKLBK-UHFFFAOYSA-N
XLogP0.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride
CID 173245177
2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 117266986
potassium 2-(trifluoromethyl)benzoate
CID 162538888
[2-[2-(trifluoromethyl)benzoyl]oxyphenyl] 2-(trifluoromethyl)benzoate
CID 91726256
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173245534
lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone
CID 173245829
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
methyl 2-(trifluoromethyl)benzoate
CID 2775578
sodium (E)-3-oxo-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-olate
CID 63709707
[2,6-bis(trifluoromethyl)phenyl]-phenylphosphanylmethanone;pentyl acetate
CID 158856572
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
1-[2-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114962023

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone (CID 174384467) is lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone is O=C(Pc1ccccc1)c1ccccc1C(F)(F)F.[H-].[Li+].
What is the InChIKey of lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is KTSPJZBRTNKLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3OP.Li.H/c15-14(16,17)12-9-5-4-8-11(12)13(18)19-10-6-2-1-3-7-10;;/h1-9,19H;;/q;+1;-1.
What are the key properties of lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone?
lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 290.15 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 174384467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).