2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine

C10H9F2NS — CID 114911441

IUPAC2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)c1cc2ccccc2s1
InChIInChI=1S/C10H9F2NS/c11-10(12,6-13)9-5-7-3-1-2-4-8(7)14-9/h1-5H,6,13H2
InChIKeyFRARMXCWWPQONM-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.95
Rot. Bonds2

About 2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine

2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine (PubChem CID 114911441) has the molecular formula C10H9F2NS and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine
PubChem CID114911441
Molecular FormulaC10H9F2NS
Molecular Weight213.25 g/mol
Exact Mass213.04
IUPAC Name2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)c1cc2ccccc2s1
InChIInChI=1S/C10H9F2NS/c11-10(12,6-13)9-5-7-3-1-2-4-8(7)14-9/h1-5H,6,13H2
InChIKeyFRARMXCWWPQONM-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine (CID 114911441) is 2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine is NCC(F)(F)c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine?
The InChIKey is FRARMXCWWPQONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NS/c11-10(12,6-13)9-5-7-3-1-2-4-8(7)14-9/h1-5H,6,13H2.
What are the key properties of 2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine?
2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine has a molecular weight of 213.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 114911441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).