7-fluoro-2-methoxy-1-benzothiophen-6-amine

C9H8FNOS — CID 130956275

IUPAC7-fluoro-2-methoxy-1-benzothiophen-6-amine
SMILESCOc1cc2ccc(N)c(F)c2s1
InChIInChI=1S/C9H8FNOS/c1-12-7-4-5-2-3-6(11)8(10)9(5)13-7/h2-4H,11H2,1H3
InChIKeyFRAGQVMMRLCGPP-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.63
Rot. Bonds1

About 7-fluoro-2-methoxy-1-benzothiophen-6-amine

7-fluoro-2-methoxy-1-benzothiophen-6-amine (PubChem CID 130956275) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 7-fluoro-2-methoxy-1-benzothiophen-6-amine.

Molecular Properties

Compound Name7-fluoro-2-methoxy-1-benzothiophen-6-amine
PubChem CID130956275
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name7-fluoro-2-methoxy-1-benzothiophen-6-amine
SMILESCOc1cc2ccc(N)c(F)c2s1
InChIInChI=1S/C9H8FNOS/c1-12-7-4-5-2-3-6(11)8(10)9(5)13-7/h2-4H,11H2,1H3
InChIKeyFRAGQVMMRLCGPP-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-2-methoxy-1-benzothiophene-6-carbaldehyde
CID 131215370
2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine
CID 130840003
6-chloro-2-methoxy-1-benzothiophen-7-amine
CID 130961312
6-fluoro-7-methoxy-1-benzothiophene-2-thiol
CID 131124415
7-amino-2-methoxy-1-benzothiophene-5-thiol
CID 131123892
2-methoxy-6-methyl-1-benzothiophen-5-amine
CID 130885316
7-fluoro-6-iodo-1-benzothiophen-2-amine
CID 130878508
6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene
CID 130878439
7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine
CID 131215588
6-bromo-2-fluoro-7-methoxy-1-benzothiophene
CID 131119207
6,16-dimethoxy-7,17-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),5,9,12,14(18),15,19-nonaene
CID 58426675
2-fluoro-4-methoxyaniline
CID 3756383

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methoxy-1-benzothiophen-6-amine?
The IUPAC name of 7-fluoro-2-methoxy-1-benzothiophen-6-amine (CID 130956275) is 7-fluoro-2-methoxy-1-benzothiophen-6-amine.
What is the SMILES notation for 7-fluoro-2-methoxy-1-benzothiophen-6-amine?
The canonical SMILES for 7-fluoro-2-methoxy-1-benzothiophen-6-amine is COc1cc2ccc(N)c(F)c2s1.
What is the InChIKey of 7-fluoro-2-methoxy-1-benzothiophen-6-amine?
The InChIKey is FRAGQVMMRLCGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-12-7-4-5-2-3-6(11)8(10)9(5)13-7/h2-4H,11H2,1H3.
What are the key properties of 7-fluoro-2-methoxy-1-benzothiophen-6-amine?
7-fluoro-2-methoxy-1-benzothiophen-6-amine has a molecular weight of 197.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methoxy-1-benzothiophen-6-amine is sourced from PubChem (CID 130956275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).