3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine

C10H9F2NS — CID 130805230

IUPAC3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine
SMILESCc1ccc(N)c2c(C(F)F)csc12
InChIInChI=1S/C10H9F2NS/c1-5-2-3-7(13)8-6(10(11)12)4-14-9(5)8/h2-4,10H,13H2,1H3
InChIKeyYBWNNNZUNQFEGU-UHFFFAOYSA-N
MW213.25 g/mol
LogP3.73
Rot. Bonds1

About 3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine

3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine (PubChem CID 130805230) has the molecular formula C10H9F2NS and a molecular weight of 213.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine
PubChem CID130805230
Molecular FormulaC10H9F2NS
Molecular Weight213.25 g/mol
Exact Mass213.04
IUPAC Name3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine
SMILESCc1ccc(N)c2c(C(F)F)csc12
InChIInChI=1S/C10H9F2NS/c1-5-2-3-7(13)8-6(10(11)12)4-14-9(5)8/h2-4,10H,13H2,1H3
InChIKeyYBWNNNZUNQFEGU-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.73
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

6-amino-3-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130854955
7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine
CID 131076036
4-iodo-3,7-dimethyl-1-benzothiophene
CID 131029346
4,8-dimethylnaphthalene-1,5-diamine;ethane
CID 143882753
3-(difluoromethyl)-4-iodo-1-benzothiophene-7-thiol
CID 130870675
4-amino-3-methyl-1-benzothiophene-7-carbonitrile
CID 131119383
7-amino-4-methyl-1-benzothiophene-3-carbonitrile
CID 130914465
6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine
CID 130941806
4-(difluoromethyl)-5-methylbenzene-1,2-diamine
CID 171010491
3-(difluoromethyl)-4-fluoro-6-methyl-1-benzothiophene
CID 130805378
3-amino-5-(difluoromethyl)-1-benzothiophen-4-ol
CID 130792241
7-(difluoromethyl)-5-iodo-3-methyl-1-benzothiophene
CID 131030950

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine?
The IUPAC name of 3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine (CID 130805230) is 3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine?
The canonical SMILES for 3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine is Cc1ccc(N)c2c(C(F)F)csc12.
What is the InChIKey of 3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine?
The InChIKey is YBWNNNZUNQFEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NS/c1-5-2-3-7(13)8-6(10(11)12)4-14-9(5)8/h2-4,10H,13H2,1H3.
What are the key properties of 3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine?
3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine has a molecular weight of 213.25 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine is sourced from PubChem (CID 130805230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).