(2-amino-3-fluoro-1-benzothiophen-4-yl)methanol

C9H8FNOS — CID 130792301

IUPAC(2-amino-3-fluoro-1-benzothiophen-4-yl)methanol
SMILESNc1sc2cccc(CO)c2c1F
InChIInChI=1S/C9H8FNOS/c10-8-7-5(4-12)2-1-3-6(7)13-9(8)11/h1-3,12H,4,11H2
InChIKeyNHLQJIQAQLIFMF-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.11
Rot. Bonds1

About (2-amino-3-fluoro-1-benzothiophen-4-yl)methanol

(2-amino-3-fluoro-1-benzothiophen-4-yl)methanol (PubChem CID 130792301) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is (2-amino-3-fluoro-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(2-amino-3-fluoro-1-benzothiophen-4-yl)methanol
PubChem CID130792301
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name(2-amino-3-fluoro-1-benzothiophen-4-yl)methanol
SMILESNc1sc2cccc(CO)c2c1F
InChIInChI=1S/C9H8FNOS/c10-8-7-5(4-12)2-1-3-6(7)13-9(8)11/h1-3,12H,4,11H2
InChIKeyNHLQJIQAQLIFMF-UHFFFAOYSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluoro-1-benzothiophen-4-yl)methanol?
The IUPAC name of (2-amino-3-fluoro-1-benzothiophen-4-yl)methanol (CID 130792301) is (2-amino-3-fluoro-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (2-amino-3-fluoro-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (2-amino-3-fluoro-1-benzothiophen-4-yl)methanol is Nc1sc2cccc(CO)c2c1F.
What is the InChIKey of (2-amino-3-fluoro-1-benzothiophen-4-yl)methanol?
The InChIKey is NHLQJIQAQLIFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c10-8-7-5(4-12)2-1-3-6(7)13-9(8)11/h1-3,12H,4,11H2.
What are the key properties of (2-amino-3-fluoro-1-benzothiophen-4-yl)methanol?
(2-amino-3-fluoro-1-benzothiophen-4-yl)methanol has a molecular weight of 197.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluoro-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130792301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).