2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine

C12H9Cl3FNS — CID 43344854

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl3FNS/c13-8-2-1-3-9(16)6(8)4-10(17)7-5-11(14)18-12(7)15/h1-3,5,10H,4,17H2
InChIKeyLVCXYYBKYUYCHJ-UHFFFAOYSA-N
MW324.64 g/mol
LogP5.09
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine (PubChem CID 43344854) has the molecular formula C12H9Cl3FNS and a molecular weight of 324.64 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
PubChem CID43344854
Molecular FormulaC12H9Cl3FNS
Molecular Weight324.64 g/mol
Exact Mass322.95
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H9Cl3FNS/c13-8-2-1-3-9(16)6(8)4-10(17)7-5-11(14)18-12(7)15/h1-3,5,10H,4,17H2
InChIKeyLVCXYYBKYUYCHJ-UHFFFAOYSA-N
XLogP5.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 61083005
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 43345053
N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497746
1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 61079951
[2-(2,6-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 107970147
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 102827194
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105106036
(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 43344832
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine (CID 43344854) is 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine is NC(Cc1c(F)cccc1Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine?
The InChIKey is LVCXYYBKYUYCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3FNS/c13-8-2-1-3-9(16)6(8)4-10(17)7-5-11(14)18-12(7)15/h1-3,5,10H,4,17H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine has a molecular weight of 324.64 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine is sourced from PubChem (CID 43344854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).