1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one

C17H22FNO — CID 175914163

IUPAC1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one
SMILESCC(C)(C)N1CCC2(CC1)Cc1ccc(F)cc1C2=O
InChIInChI=1S/C17H22FNO/c1-16(2,3)19-8-6-17(7-9-19)11-12-4-5-13(18)10-14(12)15(17)20/h4-5,10H,6-9,11H2,1-3H3
InChIKeyVETYZTZRRSHLPG-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.45
Rot. Bonds

About 1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one

1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one (PubChem CID 175914163) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one
PubChem CID175914163
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one
SMILESCC(C)(C)N1CCC2(CC1)Cc1ccc(F)cc1C2=O
InChIInChI=1S/C17H22FNO/c1-16(2,3)19-8-6-17(7-9-19)11-12-4-5-13(18)10-14(12)15(17)20/h4-5,10H,6-9,11H2,1-3H3
InChIKeyVETYZTZRRSHLPG-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one?
The IUPAC name of 1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one (CID 175914163) is 1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one.
What is the SMILES notation for 1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one?
The canonical SMILES for 1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one is CC(C)(C)N1CCC2(CC1)Cc1ccc(F)cc1C2=O.
What is the InChIKey of 1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one?
The InChIKey is VETYZTZRRSHLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-16(2,3)19-8-6-17(7-9-19)11-12-4-5-13(18)10-14(12)15(17)20/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one?
1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one has a molecular weight of 275.37 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-tert-butyl-6-fluorospiro[3H-indene-2,4'-piperidine]-1-one is sourced from PubChem (CID 175914163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).