lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate

C19H19F3LiNO3 — CID 23670635

IUPAClithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate
SMILESCN(CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC(=O)[O-].[Li+]
InChIInChI=1S/C19H20F3NO3.Li/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22;/h2-10,17H,11-13H2,1H3,(H,24,25);/q;+1/p-1
InChIKeyVMQXVSNARQMSDL-UHFFFAOYSA-M
MW373.30 g/mol
LogP-0.10
Rot. Bonds8

About lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate

lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate (PubChem CID 23670635) has the molecular formula C19H19F3LiNO3 and a molecular weight of 373.30 g/mol. Its IUPAC name is lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate.

Molecular Properties

Compound Namelithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate
PubChem CID23670635
Molecular FormulaC19H19F3LiNO3
Molecular Weight373.30 g/mol
Exact Mass373.15
IUPAC Namelithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate
SMILESCN(CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC(=O)[O-].[Li+]
InChIInChI=1S/C19H20F3NO3.Li/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22;/h2-10,17H,11-13H2,1H3,(H,24,25);/q;+1/p-1
InChIKeyVMQXVSNARQMSDL-UHFFFAOYSA-M
XLogP-0.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate?
The IUPAC name of lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate (CID 23670635) is lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate.
What is the SMILES notation for lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate?
The canonical SMILES for lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate is CN(CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC(=O)[O-].[Li+].
What is the InChIKey of lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate?
The InChIKey is VMQXVSNARQMSDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H20F3NO3.Li/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22;/h2-10,17H,11-13H2,1H3,(H,24,25);/q;+1/p-1.
What are the key properties of lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate?
lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate has a molecular weight of 373.30 g/mol, XLogP of -0.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate is sourced from PubChem (CID 23670635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).