4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine

C8H8F6N2S — CID 103312251

IUPAC4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N2S/c9-7(10,11)6(8(12,13)14)5(15)1-4-2-16-3-17-4/h2-3,5-6H,1,15H2
InChIKeyJVZWFTJTORVAEE-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.75
Rot. Bonds3

About 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine

4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312251) has the molecular formula C8H8F6N2S and a molecular weight of 278.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
PubChem CID103312251
Molecular FormulaC8H8F6N2S
Molecular Weight278.22 g/mol
Exact Mass278.03
IUPAC Name4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N2S/c9-7(10,11)6(8(12,13)14)5(15)1-4-2-16-3-17-4/h2-3,5-6H,1,15H2
InChIKeyJVZWFTJTORVAEE-UHFFFAOYSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine (CID 103312251) is 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine is NC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
The InChIKey is JVZWFTJTORVAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2S/c9-7(10,11)6(8(12,13)14)5(15)1-4-2-16-3-17-4/h2-3,5-6H,1,15H2.
What are the key properties of 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine has a molecular weight of 278.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).