tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate

C17H21F3N2O2 — CID 141048401

IUPACtert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)n1ccc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H21F3N2O2/c1-11(10-21-15(23)24-16(2,3)4)22-8-7-12-5-6-13(9-14(12)22)17(18,19)20/h5-9,11H,10H2,1-4H3,(H,21,23)/t11-/m1/s1
InChIKeyGUGDKPKQPCSNCI-LLVKDONJSA-N
MW342.36 g/mol
LogP4.75
Rot. Bonds3

About tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate

tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate (PubChem CID 141048401) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate
PubChem CID141048401
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Nametert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)n1ccc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H21F3N2O2/c1-11(10-21-15(23)24-16(2,3)4)22-8-7-12-5-6-13(9-14(12)22)17(18,19)20/h5-9,11H,10H2,1-4H3,(H,21,23)/t11-/m1/s1
InChIKeyGUGDKPKQPCSNCI-LLVKDONJSA-N
XLogP4.75
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-2-[2-(trifluoromethyl)pyrrol-1-yl]propyl]carbamate
CID 175520064
2-[6-(trifluoromethyl)indol-1-yl]propanoic acid
CID 123394835
tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
CID 103389891
dimethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrole-2,3-dicarboxylate
CID 142336707
tert-butyl N-[2-[3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387055
tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 103389858
tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate
CID 91107429
tert-butyl N-[[2-amino-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 171666541
tert-butyl N-[(2S,3R)-3-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate
CID 140541784
tert-butyl N-[(2R)-2-(3-chloropyrrol-1-yl)propyl]carbamate
CID 175182745
tert-butyl N-[3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169468751
tert-butyl N-[2-[3-[4-(trifluoromethyl)phenyl]butanoylamino]ethyl]carbamate
CID 71685048

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate (CID 141048401) is tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate is C[C@H](CNC(=O)OC(C)(C)C)n1ccc2ccc(C(F)(F)F)cc21.
What is the InChIKey of tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate?
The InChIKey is GUGDKPKQPCSNCI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-11(10-21-15(23)24-16(2,3)4)22-8-7-12-5-6-13(9-14(12)22)17(18,19)20/h5-9,11H,10H2,1-4H3,(H,21,23)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate?
tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate has a molecular weight of 342.36 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate is sourced from PubChem (CID 141048401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).