tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate

C17H22F4N2O2 — CID 22612719

IUPACtert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate
SMILESCC(CN1CCc2cc(F)c(C(F)(F)F)cc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H22F4N2O2/c1-10(22-15(24)25-16(2,3)4)9-23-6-5-11-7-13(18)12(8-14(11)23)17(19,20)21/h7-8,10H,5-6,9H2,1-4H3,(H,22,24)
InChIKeyVXNXEPHLUJIIPX-UHFFFAOYSA-N
MW362.37 g/mol
LogP4.12
Rot. Bonds3

About tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate

tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate (PubChem CID 22612719) has the molecular formula C17H22F4N2O2 and a molecular weight of 362.37 g/mol. Its IUPAC name is tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate
PubChem CID22612719
Molecular FormulaC17H22F4N2O2
Molecular Weight362.37 g/mol
Exact Mass362.16
IUPAC Nametert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate
SMILESCC(CN1CCc2cc(F)c(C(F)(F)F)cc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H22F4N2O2/c1-10(22-15(24)25-16(2,3)4)9-23-6-5-11-7-13(18)12(8-14(11)23)17(19,20)21/h7-8,10H,5-6,9H2,1-4H3,(H,22,24)
InChIKeyVXNXEPHLUJIIPX-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
CID 70159519
tert-butyl N-[(2S)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]propan-2-yl]carbamate
CID 54047981
tert-butyl N-[(2S)-1-[6-(4-hydroxythian-4-yl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate
CID 70159317
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
5-fluoro-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrole-3-carboxylic acid
CID 175390386
tert-butyl N-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]carbamate
CID 174380521
tert-butyl N-[(2S)-1-fluoro-3-(6-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl)propan-2-yl]carbamate
CID 170603919
[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
CID 11640110
tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate
CID 175178834
methyl 5-fluoro-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6-oxopyridine-3-carboxylate
CID 167472218
methyl 5-fluoro-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrole-3-carboxylate
CID 167442348
2-[3,4-difluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]anilino]-5-fluoro-4-(trifluoromethyl)benzoic acid
CID 170437682

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate (CID 22612719) is tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate is CC(CN1CCc2cc(F)c(C(F)(F)F)cc21)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate?
The InChIKey is VXNXEPHLUJIIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F4N2O2/c1-10(22-15(24)25-16(2,3)4)9-23-6-5-11-7-13(18)12(8-14(11)23)17(19,20)21/h7-8,10H,5-6,9H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate?
tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate has a molecular weight of 362.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 22612719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).