2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol

C17H14FNO2 — CID 64793530

IUPAC2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol
SMILESOc1ccc(NC(c2ccccc2)c2ccco2)cc1F
InChIInChI=1S/C17H14FNO2/c18-14-11-13(8-9-15(14)20)19-17(16-7-4-10-21-16)12-5-2-1-3-6-12/h1-11,17,19-20H
InChIKeyLICXGHPBPWNYIB-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.33
Rot. Bonds4

About 2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol

2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol (PubChem CID 64793530) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol
PubChem CID64793530
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol
SMILESOc1ccc(NC(c2ccccc2)c2ccco2)cc1F
InChIInChI=1S/C17H14FNO2/c18-14-11-13(8-9-15(14)20)19-17(16-7-4-10-21-16)12-5-2-1-3-6-12/h1-11,17,19-20H
InChIKeyLICXGHPBPWNYIB-UHFFFAOYSA-N
XLogP4.33
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol?
The IUPAC name of 2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol (CID 64793530) is 2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol.
What is the SMILES notation for 2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol?
The canonical SMILES for 2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol is Oc1ccc(NC(c2ccccc2)c2ccco2)cc1F.
What is the InChIKey of 2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol?
The InChIKey is LICXGHPBPWNYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-14-11-13(8-9-15(14)20)19-17(16-7-4-10-21-16)12-5-2-1-3-6-12/h1-11,17,19-20H.
What are the key properties of 2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol?
2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol has a molecular weight of 283.30 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol is sourced from PubChem (CID 64793530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).