ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate

C11H12FNO3 — CID 110475786

IUPACethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate
SMILESCCOC(=O)NC1COc2ccc(F)cc21
InChIInChI=1S/C11H12FNO3/c1-2-15-11(14)13-9-6-16-10-4-3-7(12)5-8(9)10/h3-5,9H,2,6H2,1H3,(H,13,14)
InChIKeyFJQFCIHKOSRMNE-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.01
Rot. Bonds2

About ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate

ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate (PubChem CID 110475786) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate
PubChem CID110475786
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Nameethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate
SMILESCCOC(=O)NC1COc2ccc(F)cc21
InChIInChI=1S/C11H12FNO3/c1-2-15-11(14)13-9-6-16-10-4-3-7(12)5-8(9)10/h3-5,9H,2,6H2,1H3,(H,13,14)
InChIKeyFJQFCIHKOSRMNE-UHFFFAOYSA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate?
The IUPAC name of ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate (CID 110475786) is ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate.
What is the SMILES notation for ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate?
The canonical SMILES for ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate is CCOC(=O)NC1COc2ccc(F)cc21.
What is the InChIKey of ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate?
The InChIKey is FJQFCIHKOSRMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-2-15-11(14)13-9-6-16-10-4-3-7(12)5-8(9)10/h3-5,9H,2,6H2,1H3,(H,13,14).
What are the key properties of ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate?
ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate has a molecular weight of 225.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate is sourced from PubChem (CID 110475786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).