1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine

C12H11ClFNS — CID 43114543

IUPAC1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNS/c13-12-5-4-11(16-12)10(15)7-8-2-1-3-9(14)6-8/h1-6,10H,7,15H2
InChIKeyYTAPMPIYBVHVOD-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.78
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine

1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine (PubChem CID 43114543) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine
PubChem CID43114543
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClFNS/c13-12-5-4-11(16-12)10(15)7-8-2-1-3-9(14)6-8/h1-6,10H,7,15H2
InChIKeyYTAPMPIYBVHVOD-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine (CID 43114543) is 1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine is NC(Cc1cccc(F)c1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is YTAPMPIYBVHVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c13-12-5-4-11(16-12)10(15)7-8-2-1-3-9(14)6-8/h1-6,10H,7,15H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine?
1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 255.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 43114543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).