7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine

C10H9F2NS — CID 131076036

IUPAC7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine
SMILESCc1csc2c(C(F)F)cc(N)cc12
InChIInChI=1S/C10H9F2NS/c1-5-4-14-9-7(5)2-6(13)3-8(9)10(11)12/h2-4,10H,13H2,1H3
InChIKeyYHAMWZJRXPEKIC-UHFFFAOYSA-N
MW213.25 g/mol
LogP3.73
Rot. Bonds1

About 7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine

7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine (PubChem CID 131076036) has the molecular formula C10H9F2NS and a molecular weight of 213.25 g/mol. Its IUPAC name is 7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine.

Molecular Properties

Compound Name7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine
PubChem CID131076036
Molecular FormulaC10H9F2NS
Molecular Weight213.25 g/mol
Exact Mass213.04
IUPAC Name7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine
SMILESCc1csc2c(C(F)F)cc(N)cc12
InChIInChI=1S/C10H9F2NS/c1-5-4-14-9-7(5)2-6(13)3-8(9)10(11)12/h2-4,10H,13H2,1H3
InChIKeyYHAMWZJRXPEKIC-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

3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine
CID 131191017
7-(difluoromethyl)-5-iodo-3-methyl-1-benzothiophene
CID 131030950
6-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 131033968
4-(difluoromethyl)-5-methylbenzene-1,2-diamine
CID 171010491
3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine
CID 130805230
7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene
CID 131215693
7-(difluoromethyl)-1-benzothiophene-3,5-diol
CID 131031223
2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine
CID 130805372
7-chloro-5-fluoro-3-methyl-1-benzothiophene
CID 91881897
7-fluoro-3-methyl-1-benzothiophene-5-diazonium chloride
CID 71330381
3-methyl-1-benzothiophen-7-amine
CID 12675888
3,5-dimethyl-1-benzothiophene-7-thiol
CID 131098252

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine?
The IUPAC name of 7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine (CID 131076036) is 7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine.
What is the SMILES notation for 7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine?
The canonical SMILES for 7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine is Cc1csc2c(C(F)F)cc(N)cc12.
What is the InChIKey of 7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine?
The InChIKey is YHAMWZJRXPEKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NS/c1-5-4-14-9-7(5)2-6(13)3-8(9)10(11)12/h2-4,10H,13H2,1H3.
What are the key properties of 7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine?
7-(difluoromethyl)-3-methyl-1-benzothiophen-5-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 7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine is sourced from PubChem (CID 131076036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).