N-(2,2-difluoroethyl)-1-benzothiophen-5-amine

C10H9F2NS — CID 65474111

IUPACN-(2,2-difluoroethyl)-1-benzothiophen-5-amine
SMILESFC(F)CNc1ccc2sccc2c1
InChIInChI=1S/C10H9F2NS/c11-10(12)6-13-8-1-2-9-7(5-8)3-4-14-9/h1-5,10,13H,6H2
InChIKeyAXKKICKKFGHYJQ-UHFFFAOYSA-N
MW213.25 g/mol
LogP3.58
Rot. Bonds3

About N-(2,2-difluoroethyl)-1-benzothiophen-5-amine

N-(2,2-difluoroethyl)-1-benzothiophen-5-amine (PubChem CID 65474111) has the molecular formula C10H9F2NS and a molecular weight of 213.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-benzothiophen-5-amine
PubChem CID65474111
Molecular FormulaC10H9F2NS
Molecular Weight213.25 g/mol
Exact Mass213.04
IUPAC NameN-(2,2-difluoroethyl)-1-benzothiophen-5-amine
SMILESFC(F)CNc1ccc2sccc2c1
InChIInChI=1S/C10H9F2NS/c11-10(12)6-13-8-1-2-9-7(5-8)3-4-14-9/h1-5,10,13H,6H2
InChIKeyAXKKICKKFGHYJQ-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-benzothiophen-5-amine (CID 65474111) is N-(2,2-difluoroethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-benzothiophen-5-amine is FC(F)CNc1ccc2sccc2c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-benzothiophen-5-amine?
The InChIKey is AXKKICKKFGHYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NS/c11-10(12)6-13-8-1-2-9-7(5-8)3-4-14-9/h1-5,10,13H,6H2.
What are the key properties of N-(2,2-difluoroethyl)-1-benzothiophen-5-amine?
N-(2,2-difluoroethyl)-1-benzothiophen-5-amine has a molecular weight of 213.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 65474111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).