tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate

C19H20FNO2 — CID 11681181

IUPACtert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-19(2,3)23-18(22)21-16-7-5-4-6-14(16)12-17(21)13-8-10-15(20)11-9-13/h4-11,17H,12H2,1-3H3/t17-/m0/s1
InChIKeyJYMSEERYLKYTLF-KRWDZBQOSA-N
MW313.37 g/mol
LogP4.86
Rot. Bonds1

About tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate

tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate (PubChem CID 11681181) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
PubChem CID11681181
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Nametert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-19(2,3)23-18(22)21-16-7-5-4-6-14(16)12-17(21)13-8-10-15(20)11-9-13/h4-11,17H,12H2,1-3H3/t17-/m0/s1
InChIKeyJYMSEERYLKYTLF-KRWDZBQOSA-N
XLogP4.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
CID 11287775
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylate
CID 78438994
1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783
tert-butyl 2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindole-1-carboxylate
CID 58433070
tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]-2,3-dihydroindole-1-carboxylate
CID 10739815
tert-butyl (2S)-2-(ethoxymethyl)-2,3-dihydroindole-1-carboxylate
CID 175968649
tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019688
tert-butyl 2-benzoyl-6-fluoro-2,3-dihydroindole-1-carboxylate
CID 71661820
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidine-1-carboxylate
CID 175932519
(2R)-5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 175870480
2-(4-fluorophenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113197482

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate (CID 11681181) is tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1c1ccc(F)cc1.
What is the InChIKey of tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is JYMSEERYLKYTLF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-19(2,3)23-18(22)21-16-7-5-4-6-14(16)12-17(21)13-8-10-15(20)11-9-13/h4-11,17H,12H2,1-3H3/t17-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate?
tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 313.37 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 11681181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).