tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate

C21H23NO3 — CID 163184937

IUPACtert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C21H23NO3/c1-21(2,3)25-20(23)22-12-17(13-22)24-16-8-9-19-15(11-16)10-14-6-4-5-7-18(14)19/h4-9,11,17H,10,12-13H2,1-3H3
InChIKeyYICKJWJIVPECOL-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.26
Rot. Bonds2

About tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate

tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate (PubChem CID 163184937) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate
PubChem CID163184937
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Nametert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C21H23NO3/c1-21(2,3)25-20(23)22-12-17(13-22)24-16-8-9-19-15(11-16)10-14-6-4-5-7-18(14)19/h4-9,11,17H,10,12-13H2,1-3H3
InChIKeyYICKJWJIVPECOL-UHFFFAOYSA-N
XLogP4.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate
CID 162516277
tert-butyl 3-(3-carbamoyl-4-chlorophenoxy)azetidine-1-carboxylate
CID 57423002
tert-butyl 3-[4-(6-methyl-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]azetidine-1-carboxylate
CID 129121980
tert-butyl 3-[4-(benzhydrylideneamino)phenoxy]azetidine-1-carboxylate
CID 118903430
tert-butyl 3-(4-bromo-3-methoxycarbonylphenoxy)azetidine-1-carboxylate
CID 170354313
tert-butyl 3-[3-isocyano-5-(2-methoxyphenyl)phenoxy]azetidine-1-carboxylate
CID 154587218
tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate
CID 162385936
tert-butyl 3-[4-[(2-chloroacetyl)amino]phenoxy]azetidine-1-carboxylate
CID 166429078
tert-butyl 3-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]oxy]azetidine-1-carboxylate
CID 154670537
tert-butyl (1S,5S,6R)-5-[(1-oxo-3H-2-benzofuran-5-yl)oxy]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 166591950
tert-butyl 3-[[7-fluoro-2-(hydroxymethyl)-2,3-dihydro-1H-inden-5-yl]oxy]azetidine-1-carboxylate
CID 156862333
tert-butyl 3-(4-aminophenoxy)azetidine-1-carboxylate;tert-butyl 3-(4-isothiocyanatophenoxy)azetidine-1-carboxylate
CID 158707690

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate (CID 163184937) is tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Oc2ccc3c(c2)Cc2ccccc2-3)C1.
What is the InChIKey of tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate?
The InChIKey is YICKJWJIVPECOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-21(2,3)25-20(23)22-12-17(13-22)24-16-8-9-19-15(11-16)10-14-6-4-5-7-18(14)19/h4-9,11,17H,10,12-13H2,1-3H3.
What are the key properties of tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate?
tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(9H-fluoren-2-yloxy)azetidine-1-carboxylate is sourced from PubChem (CID 163184937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).