5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine

C10H9F2NS — CID 130884100

IUPAC5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine
SMILESCc1cc(C(F)F)cc2cc(N)sc12
InChIInChI=1S/C10H9F2NS/c1-5-2-7(10(11)12)3-6-4-8(13)14-9(5)6/h2-4,10H,13H2,1H3
InChIKeyFJTOIRUTQDJDRY-UHFFFAOYSA-N
MW213.25 g/mol
LogP3.73
Rot. Bonds1

About 5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine

5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine (PubChem CID 130884100) has the molecular formula C10H9F2NS and a molecular weight of 213.25 g/mol. Its IUPAC name is 5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine
PubChem CID130884100
Molecular FormulaC10H9F2NS
Molecular Weight213.25 g/mol
Exact Mass213.04
IUPAC Name5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine
SMILESCc1cc(C(F)F)cc2cc(N)sc12
InChIInChI=1S/C10H9F2NS/c1-5-2-7(10(11)12)3-6-4-8(13)14-9(5)6/h2-4,10H,13H2,1H3
InChIKeyFJTOIRUTQDJDRY-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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine?
The IUPAC name of 5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine (CID 130884100) is 5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine?
The canonical SMILES for 5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine is Cc1cc(C(F)F)cc2cc(N)sc12.
What is the InChIKey of 5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine?
The InChIKey is FJTOIRUTQDJDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NS/c1-5-2-7(10(11)12)3-6-4-8(13)14-9(5)6/h2-4,10H,13H2,1H3.
What are the key properties of 5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine?
5-(difluoromethyl)-7-methyl-1-benzothiophen-2-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 5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine is sourced from PubChem (CID 130884100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).