tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate

C15H21FN2O2 — CID 115059191

IUPACtert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccc(F)cc2)CCN1
InChIInChI=1S/C15H21FN2O2/c1-14(2,3)20-13(19)17-10-15(8-9-18-15)11-4-6-12(16)7-5-11/h4-7,18H,8-10H2,1-3H3,(H,17,19)
InChIKeySQEVFKWIISJRTC-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.54
Rot. Bonds3

About tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate

tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate (PubChem CID 115059191) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate
PubChem CID115059191
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Nametert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccc(F)cc2)CCN1
InChIInChI=1S/C15H21FN2O2/c1-14(2,3)20-13(19)17-10-15(8-9-18-15)11-4-6-12(16)7-5-11/h4-7,18H,8-10H2,1-3H3,(H,17,19)
InChIKeySQEVFKWIISJRTC-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate (CID 115059191) is tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(c2ccc(F)cc2)CCN1.
What is the InChIKey of tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate?
The InChIKey is SQEVFKWIISJRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-14(2,3)20-13(19)17-10-15(8-9-18-15)11-4-6-12(16)7-5-11/h4-7,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate?
tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate has a molecular weight of 280.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate is sourced from PubChem (CID 115059191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).