(4-amino-5-fluoro-1-benzothiophen-6-yl)methanol

C9H8FNOS — CID 131053564

IUPAC(4-amino-5-fluoro-1-benzothiophen-6-yl)methanol
SMILESNc1c(F)c(CO)cc2sccc12
InChIInChI=1S/C9H8FNOS/c10-8-5(4-12)3-7-6(9(8)11)1-2-13-7/h1-3,12H,4,11H2
InChIKeyMWGUCYNFKIZRCB-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.11
Rot. Bonds1

About (4-amino-5-fluoro-1-benzothiophen-6-yl)methanol

(4-amino-5-fluoro-1-benzothiophen-6-yl)methanol (PubChem CID 131053564) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is (4-amino-5-fluoro-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(4-amino-5-fluoro-1-benzothiophen-6-yl)methanol
PubChem CID131053564
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name(4-amino-5-fluoro-1-benzothiophen-6-yl)methanol
SMILESNc1c(F)c(CO)cc2sccc12
InChIInChI=1S/C9H8FNOS/c10-8-5(4-12)3-7-6(9(8)11)1-2-13-7/h1-3,12H,4,11H2
InChIKeyMWGUCYNFKIZRCB-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-fluoro-1-benzothiophen-6-yl)methanol?
The IUPAC name of (4-amino-5-fluoro-1-benzothiophen-6-yl)methanol (CID 131053564) is (4-amino-5-fluoro-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (4-amino-5-fluoro-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (4-amino-5-fluoro-1-benzothiophen-6-yl)methanol is Nc1c(F)c(CO)cc2sccc12.
What is the InChIKey of (4-amino-5-fluoro-1-benzothiophen-6-yl)methanol?
The InChIKey is MWGUCYNFKIZRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c10-8-5(4-12)3-7-6(9(8)11)1-2-13-7/h1-3,12H,4,11H2.
What are the key properties of (4-amino-5-fluoro-1-benzothiophen-6-yl)methanol?
(4-amino-5-fluoro-1-benzothiophen-6-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 (4-amino-5-fluoro-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 131053564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).