tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate

C13H18FNO4 — CID 135072060

IUPACtert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate
SMILESC=C(F)CN(CC1=CC(=O)OC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H18FNO4/c1-9(14)6-15(12(17)19-13(2,3)4)7-10-5-11(16)18-8-10/h5H,1,6-8H2,2-4H3
InChIKeyMSTULISYVBGYEL-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.19
Rot. Bonds4

About tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate

tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate (PubChem CID 135072060) has the molecular formula C13H18FNO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate
PubChem CID135072060
Molecular FormulaC13H18FNO4
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC Nametert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate
SMILESC=C(F)CN(CC1=CC(=O)OC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H18FNO4/c1-9(14)6-15(12(17)19-13(2,3)4)7-10-5-11(16)18-8-10/h5H,1,6-8H2,2-4H3
InChIKeyMSTULISYVBGYEL-UHFFFAOYSA-N
XLogP2.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate (CID 135072060) is tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate is C=C(F)CN(CC1=CC(=O)OC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate?
The InChIKey is MSTULISYVBGYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4/c1-9(14)6-15(12(17)19-13(2,3)4)7-10-5-11(16)18-8-10/h5H,1,6-8H2,2-4H3.
What are the key properties of tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate?
tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate has a molecular weight of 271.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate is sourced from PubChem (CID 135072060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).