7-fluoro-4-methyl-1-benzothiophen-5-amine

C9H8FNS — CID 131029208

IUPAC7-fluoro-4-methyl-1-benzothiophen-5-amine
SMILESCc1c(N)cc(F)c2sccc12
InChIInChI=1S/C9H8FNS/c1-5-6-2-3-12-9(6)7(10)4-8(5)11/h2-4H,11H2,1H3
InChIKeyNTSZRQJEDSPPMT-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.93
Rot. Bonds

About 7-fluoro-4-methyl-1-benzothiophen-5-amine

7-fluoro-4-methyl-1-benzothiophen-5-amine (PubChem CID 131029208) has the molecular formula C9H8FNS and a molecular weight of 181.24 g/mol. Its IUPAC name is 7-fluoro-4-methyl-1-benzothiophen-5-amine.

Molecular Properties

Compound Name7-fluoro-4-methyl-1-benzothiophen-5-amine
PubChem CID131029208
Molecular FormulaC9H8FNS
Molecular Weight181.24 g/mol
Exact Mass181.04
IUPAC Name7-fluoro-4-methyl-1-benzothiophen-5-amine
SMILESCc1c(N)cc(F)c2sccc12
InChIInChI=1S/C9H8FNS/c1-5-6-2-3-12-9(6)7(10)4-8(5)11/h2-4H,11H2,1H3
InChIKeyNTSZRQJEDSPPMT-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-5-fluoro-4-methyl-1-benzothiophene
CID 131034041
7-fluoro-4-methyl-1-benzothiophene
CID 66644704
6-iodo-7-methyl-1-benzothiophen-4-amine
CID 130870594
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
4,5,7-trimethyl-1-benzothiophene
CID 59646225
4,5-dichloro-7-fluoro-1-benzothiophene
CID 131053718
7-fluoro-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 130913449
(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
CID 130956430
6-fluoro-4-methyl-1-benzothiophen-7-ol
CID 130942182
N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane
CID 144537725
4-amino-7-methyl-1-benzothiophene-6-carboxylic acid
CID 131076269
4-(difluoromethyl)-1-benzothiophene-6,7-diamine
CID 130884046

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-1-benzothiophen-5-amine?
The IUPAC name of 7-fluoro-4-methyl-1-benzothiophen-5-amine (CID 131029208) is 7-fluoro-4-methyl-1-benzothiophen-5-amine.
What is the SMILES notation for 7-fluoro-4-methyl-1-benzothiophen-5-amine?
The canonical SMILES for 7-fluoro-4-methyl-1-benzothiophen-5-amine is Cc1c(N)cc(F)c2sccc12.
What is the InChIKey of 7-fluoro-4-methyl-1-benzothiophen-5-amine?
The InChIKey is NTSZRQJEDSPPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c1-5-6-2-3-12-9(6)7(10)4-8(5)11/h2-4H,11H2,1H3.
What are the key properties of 7-fluoro-4-methyl-1-benzothiophen-5-amine?
7-fluoro-4-methyl-1-benzothiophen-5-amine has a molecular weight of 181.24 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-1-benzothiophen-5-amine is sourced from PubChem (CID 131029208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).