2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine

C11H13F2NS — CID 64661437

IUPAC2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCC1Sc2c(F)ccc(F)c2C1NC
InChIInChI=1S/C11H13F2NS/c1-3-8-10(14-2)9-6(12)4-5-7(13)11(9)15-8/h4-5,8,10,14H,3H2,1-2H3
InChIKeyREFCSLZZDWIJEQ-UHFFFAOYSA-N
MW229.29 g/mol
LogP3.11
Rot. Bonds2

About 2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine

2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 64661437) has the molecular formula C11H13F2NS and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID64661437
Molecular FormulaC11H13F2NS
Molecular Weight229.29 g/mol
Exact Mass229.07
IUPAC Name2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCC1Sc2c(F)ccc(F)c2C1NC
InChIInChI=1S/C11H13F2NS/c1-3-8-10(14-2)9-6(12)4-5-7(13)11(9)15-8/h4-5,8,10,14H,3H2,1-2H3
InChIKeyREFCSLZZDWIJEQ-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine (CID 64661437) is 2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine is CCC1Sc2c(F)ccc(F)c2C1NC.
What is the InChIKey of 2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is REFCSLZZDWIJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c1-3-8-10(14-2)9-6(12)4-5-7(13)11(9)15-8/h4-5,8,10,14H,3H2,1-2H3.
What are the key properties of 2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine?
2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 229.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,7-difluoro-N-methyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 64661437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).