tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate

C17H21FN2O2 — CID 15606318

IUPACtert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C17H21FN2O2/c1-17(2,3)22-16(21)19-11-5-7-15-13(9-11)12-8-10(18)4-6-14(12)20-15/h4,6,8,11,20H,5,7,9H2,1-3H3,(H,19,21)
InChIKeyJEQGRSJGOIFHOP-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.69
Rot. Bonds1

About tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate

tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate (PubChem CID 15606318) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
PubChem CID15606318
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Nametert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C17H21FN2O2/c1-17(2,3)22-16(21)19-11-5-7-15-13(9-11)12-8-10(18)4-6-14(12)20-15/h4,6,8,11,20H,5,7,9H2,1-3H3,(H,19,21)
InChIKeyJEQGRSJGOIFHOP-UHFFFAOYSA-N
XLogP3.69
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate (CID 15606318) is tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
The InChIKey is JEQGRSJGOIFHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-17(2,3)22-16(21)19-11-5-7-15-13(9-11)12-8-10(18)4-6-14(12)20-15/h4,6,8,11,20H,5,7,9H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate?
tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate has a molecular weight of 304.37 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate is sourced from PubChem (CID 15606318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).