lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide

C14H18F3LiN2 — CID 135040334

IUPAClithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide
SMILESFC(F)(F)C[N-][C@H](CN1CCCC1)c1ccccc1.[Li+]
InChIInChI=1S/C14H18F3N2.Li/c15-14(16,17)11-18-13(10-19-8-4-5-9-19)12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11H2;/q-1;+1/t13-;/m1./s1
InChIKeyHDIAETMZUATPOQ-BTQNPOSSSA-N
MW278.25 g/mol
LogP0.76
Rot. Bonds5

About lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide

lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide (PubChem CID 135040334) has the molecular formula C14H18F3LiN2 and a molecular weight of 278.25 g/mol. Its IUPAC name is lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide.

Molecular Properties

Compound Namelithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide
PubChem CID135040334
Molecular FormulaC14H18F3LiN2
Molecular Weight278.25 g/mol
Exact Mass278.16
IUPAC Namelithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide
SMILESFC(F)(F)C[N-][C@H](CN1CCCC1)c1ccccc1.[Li+]
InChIInChI=1S/C14H18F3N2.Li/c15-14(16,17)11-18-13(10-19-8-4-5-9-19)12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11H2;/q-1;+1/t13-;/m1./s1
InChIKeyHDIAETMZUATPOQ-BTQNPOSSSA-N
XLogP0.76
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide
CID 132604880
1-phenyl-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 110891512
dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide
CID 59566060
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine
CID 58172305
methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
CID 87106535
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
2,2,2-trifluoro-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 11779548
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
CID 58948589
1-[(2R)-3-ethyl-2-phenylpentyl]pyrrolidine
CID 71001431
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136

Frequently Asked Questions

What is the IUPAC name of lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide?
The IUPAC name of lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide (CID 135040334) is lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide.
What is the SMILES notation for lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide?
The canonical SMILES for lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide is FC(F)(F)C[N-][C@H](CN1CCCC1)c1ccccc1.[Li+].
What is the InChIKey of lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide?
The InChIKey is HDIAETMZUATPOQ-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H18F3N2.Li/c15-14(16,17)11-18-13(10-19-8-4-5-9-19)12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11H2;/q-1;+1/t13-;/m1./s1.
What are the key properties of lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide?
lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide has a molecular weight of 278.25 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide is sourced from PubChem (CID 135040334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).