[5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate

C15H13F2NO6 — CID 90080863

IUPAC[5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate
SMILESCCOC(=O)Nc1oc(-c2ccc(F)c(F)c2)c(O)c1OC(C)=O
InChIInChI=1S/C15H13F2NO6/c1-3-22-15(21)18-14-13(23-7(2)19)11(20)12(24-14)8-4-5-9(16)10(17)6-8/h4-6,20H,3H2,1-2H3,(H,18,21)
InChIKeyMPJPSHPQRLPVAJ-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.42
Rot. Bonds4

About [5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate

[5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90080863) has the molecular formula C15H13F2NO6 and a molecular weight of 341.27 g/mol. Its IUPAC name is [5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate
PubChem CID90080863
Molecular FormulaC15H13F2NO6
Molecular Weight341.27 g/mol
Exact Mass341.07
IUPAC Name[5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate
SMILESCCOC(=O)Nc1oc(-c2ccc(F)c(F)c2)c(O)c1OC(C)=O
InChIInChI=1S/C15H13F2NO6/c1-3-22-15(21)18-14-13(23-7(2)19)11(20)12(24-14)8-4-5-9(16)10(17)6-8/h4-6,20H,3H2,1-2H3,(H,18,21)
InChIKeyMPJPSHPQRLPVAJ-UHFFFAOYSA-N
XLogP3.42
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate (CID 90080863) is [5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate is CCOC(=O)Nc1oc(-c2ccc(F)c(F)c2)c(O)c1OC(C)=O.
What is the InChIKey of [5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is MPJPSHPQRLPVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO6/c1-3-22-15(21)18-14-13(23-7(2)19)11(20)12(24-14)8-4-5-9(16)10(17)6-8/h4-6,20H,3H2,1-2H3,(H,18,21).
What are the key properties of [5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate?
[5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 341.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90080863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).