3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

C9H10F6N2OS — CID 106783793

IUPAC3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESNC(CCOCC(F)(F)F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F6N2OS/c10-8(11,12)4-18-2-1-5(16)6-3-17-7(19-6)9(13,14)15/h3,5H,1-2,4,16H2
InChIKeyMZRYVHMTHDABKJ-UHFFFAOYSA-N
MW308.25 g/mol
LogP3.13
Rot. Bonds5

About 3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106783793) has the molecular formula C9H10F6N2OS and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106783793
Molecular FormulaC9H10F6N2OS
Molecular Weight308.25 g/mol
Exact Mass308.04
IUPAC Name3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESNC(CCOCC(F)(F)F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F6N2OS/c10-8(11,12)4-18-2-1-5(16)6-3-17-7(19-6)9(13,14)15/h3,5H,1-2,4,16H2
InChIKeyMZRYVHMTHDABKJ-UHFFFAOYSA-N
XLogP3.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783287
2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782981
3,5,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine
CID 106786341
3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783796
2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine
CID 106783691
2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783196
2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 61490488
(2S)-2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 106702742
1-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147973
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-one
CID 106784127
1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216134

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106783793) is 3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is NC(CCOCC(F)(F)F)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is MZRYVHMTHDABKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N2OS/c10-8(11,12)4-18-2-1-5(16)6-3-17-7(19-6)9(13,14)15/h3,5H,1-2,4,16H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106783793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).