2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine

C12H10ClF2NS — CID 83987186

IUPAC2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine
SMILESNCC(c1ccc(Cl)s1)c1ccc(F)cc1F
InChIInChI=1S/C12H10ClF2NS/c13-12-4-3-11(17-12)9(6-16)8-2-1-7(14)5-10(8)15/h1-5,9H,6,16H2
InChIKeyBRYHEROBUPEBQW-UHFFFAOYSA-N
MW273.74 g/mol
LogP3.77
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine

2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine (PubChem CID 83987186) has the molecular formula C12H10ClF2NS and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine
PubChem CID83987186
Molecular FormulaC12H10ClF2NS
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine
SMILESNCC(c1ccc(Cl)s1)c1ccc(F)cc1F
InChIInChI=1S/C12H10ClF2NS/c13-12-4-3-11(17-12)9(6-16)8-2-1-7(14)5-10(8)15/h1-5,9H,6,16H2
InChIKeyBRYHEROBUPEBQW-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine (CID 83987186) is 2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine is NCC(c1ccc(Cl)s1)c1ccc(F)cc1F.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine?
The InChIKey is BRYHEROBUPEBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NS/c13-12-4-3-11(17-12)9(6-16)8-2-1-7(14)5-10(8)15/h1-5,9H,6,16H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine?
2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine has a molecular weight of 273.74 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 83987186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).