1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine

C12H10ClF2NS — CID 107359306

IUPAC1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine
SMILESCC(N)(c1cc(F)cc(F)c1)c1sccc1Cl
InChIInChI=1S/C12H10ClF2NS/c1-12(16,11-10(13)2-3-17-11)7-4-8(14)6-9(15)5-7/h2-6H,16H2,1H3
InChIKeyGJHFFAYQFKSHKH-UHFFFAOYSA-N
MW273.74 g/mol
LogP3.90
Rot. Bonds2

About 1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine

1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine (PubChem CID 107359306) has the molecular formula C12H10ClF2NS and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine
PubChem CID107359306
Molecular FormulaC12H10ClF2NS
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine
SMILESCC(N)(c1cc(F)cc(F)c1)c1sccc1Cl
InChIInChI=1S/C12H10ClF2NS/c1-12(16,11-10(13)2-3-17-11)7-4-8(14)6-9(15)5-7/h2-6H,16H2,1H3
InChIKeyGJHFFAYQFKSHKH-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine (CID 107359306) is 1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine is CC(N)(c1cc(F)cc(F)c1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine?
The InChIKey is GJHFFAYQFKSHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NS/c1-12(16,11-10(13)2-3-17-11)7-4-8(14)6-9(15)5-7/h2-6H,16H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine?
1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine has a molecular weight of 273.74 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 107359306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).