2-amino-5-(3,4-difluorophenyl)furan-3,4-diol

C10H7F2NO3 — CID 123422097

IUPAC2-amino-5-(3,4-difluorophenyl)furan-3,4-diol
SMILESNc1oc(-c2ccc(F)c(F)c2)c(O)c1O
InChIInChI=1S/C10H7F2NO3/c11-5-2-1-4(3-6(5)12)9-7(14)8(15)10(13)16-9/h1-3,14-15H,13H2
InChIKeyILVYCLIJTRLFRD-UHFFFAOYSA-N
MW227.17 g/mol
LogP2.22
Rot. Bonds1

About 2-amino-5-(3,4-difluorophenyl)furan-3,4-diol

2-amino-5-(3,4-difluorophenyl)furan-3,4-diol (PubChem CID 123422097) has the molecular formula C10H7F2NO3 and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-amino-5-(3,4-difluorophenyl)furan-3,4-diol.

Molecular Properties

Compound Name2-amino-5-(3,4-difluorophenyl)furan-3,4-diol
PubChem CID123422097
Molecular FormulaC10H7F2NO3
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name2-amino-5-(3,4-difluorophenyl)furan-3,4-diol
SMILESNc1oc(-c2ccc(F)c(F)c2)c(O)c1O
InChIInChI=1S/C10H7F2NO3/c11-5-2-1-4(3-6(5)12)9-7(14)8(15)10(13)16-9/h1-3,14-15H,13H2
InChIKeyILVYCLIJTRLFRD-UHFFFAOYSA-N
XLogP2.22
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-difluorophenyl)furan-3,4-diol?
The IUPAC name of 2-amino-5-(3,4-difluorophenyl)furan-3,4-diol (CID 123422097) is 2-amino-5-(3,4-difluorophenyl)furan-3,4-diol.
What is the SMILES notation for 2-amino-5-(3,4-difluorophenyl)furan-3,4-diol?
The canonical SMILES for 2-amino-5-(3,4-difluorophenyl)furan-3,4-diol is Nc1oc(-c2ccc(F)c(F)c2)c(O)c1O.
What is the InChIKey of 2-amino-5-(3,4-difluorophenyl)furan-3,4-diol?
The InChIKey is ILVYCLIJTRLFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO3/c11-5-2-1-4(3-6(5)12)9-7(14)8(15)10(13)16-9/h1-3,14-15H,13H2.
What are the key properties of 2-amino-5-(3,4-difluorophenyl)furan-3,4-diol?
2-amino-5-(3,4-difluorophenyl)furan-3,4-diol has a molecular weight of 227.17 g/mol, XLogP of 2.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-difluorophenyl)furan-3,4-diol is sourced from PubChem (CID 123422097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).