tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate

C18H24FNO2 — CID 152819113

IUPACtert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C18H24FNO2/c1-17(2,3)22-16(21)20-12-18(9-5-4-6-10-18)14-11-13(19)7-8-15(14)20/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeySTEDTRSTFMHJIX-UHFFFAOYSA-N
MW305.39 g/mol
LogP4.78
Rot. Bonds

About tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate

tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate (PubChem CID 152819113) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate
PubChem CID152819113
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Nametert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C18H24FNO2/c1-17(2,3)22-16(21)20-12-18(9-5-4-6-10-18)14-11-13(19)7-8-15(14)20/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeySTEDTRSTFMHJIX-UHFFFAOYSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Spiro(cyclopentane-1,3'-indoline), 1'-acetyl-
CID 3039209
tert-butyl N-(2-(2,3-dihydro-1H-indol-3-yl)ethyl)carbamate
CID 394091
Methyl 2,3-dihydro-1H-indole-1-carboxylate
CID 690083
Tert-butyl 5-fluoro-2-oxo-1,2-dihydrospiro(indole-3,4'-piperidine)-1'-carboxylate
CID 45789695
tert-Butyl indoline-1-carboxylate
CID 3663954
(E)-3-(3-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 6299193
1-Acetyl-4-fluoroindoline
CID 66915038
1-Acetyl-3,3-dimethylindoline
CID 10888721
1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone
CID 16748776
1-(5-Fluoroindolin-1-yl)ethanone
CID 18461678
tert-Butyl 3-(chloromethyl)indoline-1-carboxylate
CID 58805418
1-(2,3,3-Trimethylindolin-1-yl)ethanone
CID 90643765

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate?
The IUPAC name of tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate (CID 152819113) is tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate.
What is the SMILES notation for tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate?
The canonical SMILES for tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate is CC(C)(C)OC(=O)N1CC2(CCCCC2)c2cc(F)ccc21.
What is the InChIKey of tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate?
The InChIKey is STEDTRSTFMHJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-17(2,3)22-16(21)20-12-18(9-5-4-6-10-18)14-11-13(19)7-8-15(14)20/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate?
tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate has a molecular weight of 305.39 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate is sourced from PubChem (CID 152819113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).