lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide

C16H12F6LiN — CID 10783246

IUPAClithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide
SMILESFC(F)(F)[C@H]([N-][C@H](c1ccccc1)C(F)(F)F)c1ccccc1.[Li+]
InChIInChI=1S/C16H12F6N.Li/c17-15(18,19)13(11-7-3-1-4-8-11)23-14(16(20,21)22)12-9-5-2-6-10-12;/h1-10,13-14H;/q-1;+1/t13-,14-;/m1./s1
InChIKeyKQYPUANPABCWOP-DTPOWOMPSA-N
MW339.21 g/mol
LogP2.97
Rot. Bonds4

About lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide

lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide (PubChem CID 10783246) has the molecular formula C16H12F6LiN and a molecular weight of 339.21 g/mol. Its IUPAC name is lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide.

Molecular Properties

Compound Namelithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide
PubChem CID10783246
Molecular FormulaC16H12F6LiN
Molecular Weight339.21 g/mol
Exact Mass339.10
IUPAC Namelithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide
SMILESFC(F)(F)[C@H]([N-][C@H](c1ccccc1)C(F)(F)F)c1ccccc1.[Li+]
InChIInChI=1S/C16H12F6N.Li/c17-15(18,19)13(11-7-3-1-4-8-11)23-14(16(20,21)22)12-9-5-2-6-10-12;/h1-10,13-14H;/q-1;+1/t13-,14-;/m1./s1
InChIKeyKQYPUANPABCWOP-DTPOWOMPSA-N
XLogP2.97
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide 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

[2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethyl)sulfonylethyl]benzene
CID 87624100
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
[2,2,2-trifluoro-1-[(2,2,2-trifluoro-1-phenylethyl)disulfanyl]ethyl]benzene
CID 87395702
2,2,2-trifluoro-1-phenylethanesulfinic acid
CID 18758760
2,2,2-trifluoro-1-phenylethanesulfonyl chloride
CID 75480361
lithium benzhydrylbenzene
CID 18381038
[(1R)-2,2,2-trifluoro-1-phenylethyl] hypoiodite
CID 90048095
(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 15275027
dilithium;bis[(1R)-1-phenylethyl]azanide;bromide
CID 135082056
[(1S,2S)-1-chloro-3,3,3-trifluoro-2-methylpropyl]benzene
CID 129384644
(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
CID 171237918
N-benzhydryl-1,1,1-trifluoromethanamine
CID 70275590

Frequently Asked Questions

What is the IUPAC name of lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide?
The IUPAC name of lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide (CID 10783246) is lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide.
What is the SMILES notation for lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide?
The canonical SMILES for lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide is FC(F)(F)[C@H]([N-][C@H](c1ccccc1)C(F)(F)F)c1ccccc1.[Li+].
What is the InChIKey of lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide?
The InChIKey is KQYPUANPABCWOP-DTPOWOMPSA-N. The full InChI is InChI=1S/C16H12F6N.Li/c17-15(18,19)13(11-7-3-1-4-8-11)23-14(16(20,21)22)12-9-5-2-6-10-12;/h1-10,13-14H;/q-1;+1/t13-,14-;/m1./s1.
What are the key properties of lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide?
lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide has a molecular weight of 339.21 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide is sourced from PubChem (CID 10783246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).