tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

C18H24FNO4 — CID 67122794

IUPACtert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(O)c1ccc(F)cc1O2
InChIInChI=1S/C18H24FNO4/c1-17(2,3)24-16(22)20-8-6-18(7-9-20)11-14(21)13-5-4-12(19)10-15(13)23-18/h4-5,10,14,21H,6-9,11H2,1-3H3
InChIKeyKBNCFDUTYYMZTG-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.41
Rot. Bonds

About tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 67122794) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
PubChem CID67122794
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Nametert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(O)c1ccc(F)cc1O2
InChIInChI=1S/C18H24FNO4/c1-17(2,3)24-16(22)20-8-6-18(7-9-20)11-14(21)13-5-4-12(19)10-15(13)23-18/h4-5,10,14,21H,6-9,11H2,1-3H3
InChIKeyKBNCFDUTYYMZTG-UHFFFAOYSA-N
XLogP3.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (CID 67122794) is tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)c1ccc(F)cc1O2.
What is the InChIKey of tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is KBNCFDUTYYMZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-17(2,3)24-16(22)20-8-6-18(7-9-20)11-14(21)13-5-4-12(19)10-15(13)23-18/h4-5,10,14,21H,6-9,11H2,1-3H3.
What are the key properties of tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 337.39 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 67122794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).