3-ethyl-4-fluoro-1-benzothiophen-5-amine

C10H10FNS — CID 130956296

IUPAC3-ethyl-4-fluoro-1-benzothiophen-5-amine
SMILESCCc1csc2ccc(N)c(F)c12
InChIInChI=1S/C10H10FNS/c1-2-6-5-13-8-4-3-7(12)10(11)9(6)8/h3-5H,2,12H2,1H3
InChIKeyQAPLWSHFDPRXRT-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.18
Rot. Bonds1

About 3-ethyl-4-fluoro-1-benzothiophen-5-amine

3-ethyl-4-fluoro-1-benzothiophen-5-amine (PubChem CID 130956296) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-1-benzothiophen-5-amine.

Molecular Properties

Compound Name3-ethyl-4-fluoro-1-benzothiophen-5-amine
PubChem CID130956296
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name3-ethyl-4-fluoro-1-benzothiophen-5-amine
SMILESCCc1csc2ccc(N)c(F)c12
InChIInChI=1S/C10H10FNS/c1-2-6-5-13-8-4-3-7(12)10(11)9(6)8/h3-5H,2,12H2,1H3
InChIKeyQAPLWSHFDPRXRT-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.18
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

4-(chloromethyl)-3-ethyl-1-benzothiophen-5-amine
CID 130839166
5-ethyl-4-fluoro-3-iodo-1-benzothiophene
CID 130870716
3-ethyl-5-fluoro-1-benzothiophene-4-carbonitrile
CID 130951900
3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine
CID 130826444
3-ethyl-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 131223357
3-fluoro-4-methyl-1-benzothiophen-5-amine
CID 131075761
6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine
CID 131138124
4-ethyl-2-fluoro-3-(trifluoromethyl)aniline;hydrochloride
CID 68821424
4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
CID 131146483
ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate
CID 86137864
3-ethyl-5-methylsulfanyl-1-benzothiophene
CID 146510134
4-(chloromethyl)-5-fluoro-1-benzothiophen-3-amine
CID 130941932

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-1-benzothiophen-5-amine?
The IUPAC name of 3-ethyl-4-fluoro-1-benzothiophen-5-amine (CID 130956296) is 3-ethyl-4-fluoro-1-benzothiophen-5-amine.
What is the SMILES notation for 3-ethyl-4-fluoro-1-benzothiophen-5-amine?
The canonical SMILES for 3-ethyl-4-fluoro-1-benzothiophen-5-amine is CCc1csc2ccc(N)c(F)c12.
What is the InChIKey of 3-ethyl-4-fluoro-1-benzothiophen-5-amine?
The InChIKey is QAPLWSHFDPRXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-2-6-5-13-8-4-3-7(12)10(11)9(6)8/h3-5H,2,12H2,1H3.
What are the key properties of 3-ethyl-4-fluoro-1-benzothiophen-5-amine?
3-ethyl-4-fluoro-1-benzothiophen-5-amine has a molecular weight of 195.26 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluoro-1-benzothiophen-5-amine is sourced from PubChem (CID 130956296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).