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

C13H11F2NO5 — CID 90081156

IUPACethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
SMILESCCOC(=O)Nc1oc(-c2ccc(F)c(F)c2)c(O)c1O
InChIInChI=1S/C13H11F2NO5/c1-2-20-13(19)16-12-10(18)9(17)11(21-12)6-3-4-7(14)8(15)5-6/h3-5,17-18H,2H2,1H3,(H,16,19)
InChIKeyVUYVMMLXJQPDFT-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.20
Rot. Bonds3

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

ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate (PubChem CID 90081156) has the molecular formula C13H11F2NO5 and a molecular weight of 299.23 g/mol. Its IUPAC name is ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
PubChem CID90081156
Molecular FormulaC13H11F2NO5
Molecular Weight299.23 g/mol
Exact Mass299.06
IUPAC Nameethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
SMILESCCOC(=O)Nc1oc(-c2ccc(F)c(F)c2)c(O)c1O
InChIInChI=1S/C13H11F2NO5/c1-2-20-13(19)16-12-10(18)9(17)11(21-12)6-3-4-7(14)8(15)5-6/h3-5,17-18H,2H2,1H3,(H,16,19)
InChIKeyVUYVMMLXJQPDFT-UHFFFAOYSA-N
XLogP3.20
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
CID 90081842
ethyl N-[3,4-dihydroxy-5-(3-methoxyphenyl)furan-2-yl]carbamate
CID 90081283
ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate
CID 90081736
2-amino-5-(3,4-difluorophenyl)furan-3,4-diol
CID 123422097
[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate
CID 90082253
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081391
ethyl N-[2-(3,4-difluorophenyl)-4-hydroxybutyl]carbamate
CID 22452677
ethyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 104780921

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate (CID 90081156) is ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate is CCOC(=O)Nc1oc(-c2ccc(F)c(F)c2)c(O)c1O.
What is the InChIKey of ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The InChIKey is VUYVMMLXJQPDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO5/c1-2-20-13(19)16-12-10(18)9(17)11(21-12)6-3-4-7(14)8(15)5-6/h3-5,17-18H,2H2,1H3,(H,16,19).
What are the key properties of ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate has a molecular weight of 299.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate is sourced from PubChem (CID 90081156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).