tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate

C15H20FNO3 — CID 59588981

IUPACtert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C(/F)COc1ccccc1
InChIInChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17-10-9-12(16)11-19-13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,17,18)/b12-9+
InChIKeyGLCWNRBQLBWFAD-FMIVXFBMSA-N
MW281.33 g/mol
LogP3.44
Rot. Bonds5

About tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate

tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate (PubChem CID 59588981) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate
PubChem CID59588981
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nametert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C(/F)COc1ccccc1
InChIInChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17-10-9-12(16)11-19-13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,17,18)/b12-9+
InChIKeyGLCWNRBQLBWFAD-FMIVXFBMSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate (CID 59588981) is tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C(/F)COc1ccccc1.
What is the InChIKey of tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate?
The InChIKey is GLCWNRBQLBWFAD-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17-10-9-12(16)11-19-13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,17,18)/b12-9+.
What are the key properties of tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate?
tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate has a molecular weight of 281.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-fluoro-4-phenoxybut-2-enyl]carbamate is sourced from PubChem (CID 59588981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).