ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate

C13H12FNO5 — CID 90081842

IUPACethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
SMILESCCOC(=O)Nc1oc(-c2ccccc2F)c(O)c1O
InChIInChI=1S/C13H12FNO5/c1-2-19-13(18)15-12-10(17)9(16)11(20-12)7-5-3-4-6-8(7)14/h3-6,16-17H,2H2,1H3,(H,15,18)
InChIKeyCJOBJVJGGZFLCV-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.07
Rot. Bonds3

About ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate

ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate (PubChem CID 90081842) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
PubChem CID90081842
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Nameethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
SMILESCCOC(=O)Nc1oc(-c2ccccc2F)c(O)c1O
InChIInChI=1S/C13H12FNO5/c1-2-19-13(18)15-12-10(17)9(16)11(20-12)7-5-3-4-6-8(7)14/h3-6,16-17H,2H2,1H3,(H,15,18)
InChIKeyCJOBJVJGGZFLCV-UHFFFAOYSA-N
XLogP3.07
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate (CID 90081842) is ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate is CCOC(=O)Nc1oc(-c2ccccc2F)c(O)c1O.
What is the InChIKey of ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The InChIKey is CJOBJVJGGZFLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/c1-2-19-13(18)15-12-10(17)9(16)11(20-12)7-5-3-4-6-8(7)14/h3-6,16-17H,2H2,1H3,(H,15,18).
What are the key properties of ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate has a molecular weight of 281.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate is sourced from PubChem (CID 90081842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).