(6-amino-3-fluoro-1-benzothiophen-7-yl)methanol

C9H8FNOS — CID 130788571

IUPAC(6-amino-3-fluoro-1-benzothiophen-7-yl)methanol
SMILESNc1ccc2c(F)csc2c1CO
InChIInChI=1S/C9H8FNOS/c10-7-4-13-9-5(7)1-2-8(11)6(9)3-12/h1-2,4,12H,3,11H2
InChIKeyZVTYUFPNAHVDDK-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.11
Rot. Bonds1

About (6-amino-3-fluoro-1-benzothiophen-7-yl)methanol

(6-amino-3-fluoro-1-benzothiophen-7-yl)methanol (PubChem CID 130788571) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is (6-amino-3-fluoro-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(6-amino-3-fluoro-1-benzothiophen-7-yl)methanol
PubChem CID130788571
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name(6-amino-3-fluoro-1-benzothiophen-7-yl)methanol
SMILESNc1ccc2c(F)csc2c1CO
InChIInChI=1S/C9H8FNOS/c10-7-4-13-9-5(7)1-2-8(11)6(9)3-12/h1-2,4,12H,3,11H2
InChIKeyZVTYUFPNAHVDDK-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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Related Compounds

[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol
CID 130878455
7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene
CID 130914557
7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine
CID 130865946
[3-amino-7-(chloromethyl)-1-benzothiophen-6-yl]methanol
CID 130914343
7-ethyl-3-iodo-1-benzothiophen-6-amine
CID 130839819
(6-amino-3-bromo-2-fluorophenyl)methanol
CID 67080757
(6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol
CID 131197619
(6-bromo-3-methyl-1-benzothiophen-7-yl)methanol
CID 131014253
[3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol
CID 131261843
3-fluoro-6-methoxy-1-benzothiophen-7-ol
CID 131196384
3-fluoro-7-iodo-1-benzothiophene-6-thiol
CID 131123099
2-(3,7-difluoro-1-benzothiophen-6-yl)acetonitrile
CID 131053864

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-fluoro-1-benzothiophen-7-yl)methanol?
The IUPAC name of (6-amino-3-fluoro-1-benzothiophen-7-yl)methanol (CID 130788571) is (6-amino-3-fluoro-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (6-amino-3-fluoro-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (6-amino-3-fluoro-1-benzothiophen-7-yl)methanol is Nc1ccc2c(F)csc2c1CO.
What is the InChIKey of (6-amino-3-fluoro-1-benzothiophen-7-yl)methanol?
The InChIKey is ZVTYUFPNAHVDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c10-7-4-13-9-5(7)1-2-8(11)6(9)3-12/h1-2,4,12H,3,11H2.
What are the key properties of (6-amino-3-fluoro-1-benzothiophen-7-yl)methanol?
(6-amino-3-fluoro-1-benzothiophen-7-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 (6-amino-3-fluoro-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 130788571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).