2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C12H9ClF4N2S — CID 106783196

IUPAC2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H9ClF4N2S/c13-7-2-1-3-8(14)6(7)4-9(18)10-5-19-11(20-10)12(15,16)17/h1-3,5,9H,4,18H2
InChIKeyQQHJRGLEQFCXRZ-UHFFFAOYSA-N
MW324.73 g/mol
LogP4.20
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783196) has the molecular formula C12H9ClF4N2S and a molecular weight of 324.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783196
Molecular FormulaC12H9ClF4N2S
Molecular Weight324.73 g/mol
Exact Mass324.01
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H9ClF4N2S/c13-7-2-1-3-8(14)6(7)4-9(18)10-5-19-11(20-10)12(15,16)17/h1-3,5,9H,4,18H2
InChIKeyQQHJRGLEQFCXRZ-UHFFFAOYSA-N
XLogP4.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782981
2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031186
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 102827194
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 43344854
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783793
2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783287
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782715
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 43345053
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105106036
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
[2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
CID 106786780
[(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786791

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783196) is 2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is NC(Cc1c(F)cccc1Cl)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is QQHJRGLEQFCXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4N2S/c13-7-2-1-3-8(14)6(7)4-9(18)10-5-19-11(20-10)12(15,16)17/h1-3,5,9H,4,18H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 324.73 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).