5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol

C11H10FNOS — CID 141309505

IUPAC5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol
SMILESCc1sccc1Nc1ccc(F)cc1O
InChIInChI=1S/C11H10FNOS/c1-7-9(4-5-15-7)13-10-3-2-8(12)6-11(10)14/h2-6,13-14H,1H3
InChIKeyMVGLYCDZEKAXDE-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.64
Rot. Bonds2

About 5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol

5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol (PubChem CID 141309505) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol.

Molecular Properties

Compound Name5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol
PubChem CID141309505
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol
SMILESCc1sccc1Nc1ccc(F)cc1O
InChIInChI=1S/C11H10FNOS/c1-7-9(4-5-15-7)13-10-3-2-8(12)6-11(10)14/h2-6,13-14H,1H3
InChIKeyMVGLYCDZEKAXDE-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol?
The IUPAC name of 5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol (CID 141309505) is 5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol.
What is the SMILES notation for 5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol?
The canonical SMILES for 5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol is Cc1sccc1Nc1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol?
The InChIKey is MVGLYCDZEKAXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS/c1-7-9(4-5-15-7)13-10-3-2-8(12)6-11(10)14/h2-6,13-14H,1H3.
What are the key properties of 5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol?
5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol has a molecular weight of 223.27 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol is sourced from PubChem (CID 141309505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).