2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine

C12H11ClFNS — CID 62602374

IUPAC2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine
SMILESNC(Cc1ccc(F)cc1Cl)c1ccsc1
InChIInChI=1S/C12H11ClFNS/c13-11-6-10(14)2-1-8(11)5-12(15)9-3-4-16-7-9/h1-4,6-7,12H,5,15H2
InChIKeyUWODWWYFZIDUBF-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.78
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine

2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine (PubChem CID 62602374) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine
PubChem CID62602374
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine
SMILESNC(Cc1ccc(F)cc1Cl)c1ccsc1
InChIInChI=1S/C12H11ClFNS/c13-11-6-10(14)2-1-8(11)5-12(15)9-3-4-16-7-9/h1-4,6-7,12H,5,15H2
InChIKeyUWODWWYFZIDUBF-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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Related Compounds

[2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethyl]hydrazine
CID 105196675
1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 66425660
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 115840443
1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 63890430
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66072212
2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115840484
1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine
CID 62603337

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine (CID 62602374) is 2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine is NC(Cc1ccc(F)cc1Cl)c1ccsc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine?
The InChIKey is UWODWWYFZIDUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c13-11-6-10(14)2-1-8(11)5-12(15)9-3-4-16-7-9/h1-4,6-7,12H,5,15H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine?
2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine 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 2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62602374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).