1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol

C12H10FNO4 — CID 82844602

IUPAC1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol
SMILESCC(O)c1ccc(-c2ccc([N+](=O)[O-])c(F)c2)o1
InChIInChI=1S/C12H10FNO4/c1-7(15)11-4-5-12(18-11)8-2-3-10(14(16)17)9(13)6-8/h2-7,15H,1H3
InChIKeyVJQMCGLJNRFIGM-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.05
Rot. Bonds3

About 1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol

1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol (PubChem CID 82844602) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is 1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol
PubChem CID82844602
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol
SMILESCC(O)c1ccc(-c2ccc([N+](=O)[O-])c(F)c2)o1
InChIInChI=1S/C12H10FNO4/c1-7(15)11-4-5-12(18-11)8-2-3-10(14(16)17)9(13)6-8/h2-7,15H,1H3
InChIKeyVJQMCGLJNRFIGM-UHFFFAOYSA-N
XLogP3.05
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol?
The IUPAC name of 1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol (CID 82844602) is 1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol.
What is the SMILES notation for 1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol?
The canonical SMILES for 1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol is CC(O)c1ccc(-c2ccc([N+](=O)[O-])c(F)c2)o1.
What is the InChIKey of 1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol?
The InChIKey is VJQMCGLJNRFIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4/c1-7(15)11-4-5-12(18-11)8-2-3-10(14(16)17)9(13)6-8/h2-7,15H,1H3.
What are the key properties of 1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol?
1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol has a molecular weight of 251.21 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol is sourced from PubChem (CID 82844602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).