2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine

C7H11F3N4 — CID 116642242

IUPAC2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine
SMILESNCCc1cn(CCC(F)(F)F)nn1
InChIInChI=1S/C7H11F3N4/c8-7(9,10)2-4-14-5-6(1-3-11)12-13-14/h5H,1-4,11H2
InChIKeyKAFGLMYZLAHMMS-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.73
Rot. Bonds4

About 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine

2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine (PubChem CID 116642242) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine
PubChem CID116642242
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine
SMILESNCCc1cn(CCC(F)(F)F)nn1
InChIInChI=1S/C7H11F3N4/c8-7(9,10)2-4-14-5-6(1-3-11)12-13-14/h5H,1-4,11H2
InChIKeyKAFGLMYZLAHMMS-UHFFFAOYSA-N
XLogP0.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]ethanamine
CID 116641681
6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
CID 107706694
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569
2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine
CID 116642052
4-(bromomethyl)-1-(4,4,4-trifluorobutyl)triazole
CID 115518156
2-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanamine
CID 116641837
4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine
CID 104539266
2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
CID 116642244
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine (CID 116642242) is 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine is NCCc1cn(CCC(F)(F)F)nn1.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine?
The InChIKey is KAFGLMYZLAHMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c8-7(9,10)2-4-14-5-6(1-3-11)12-13-14/h5H,1-4,11H2.
What are the key properties of 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine?
2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine has a molecular weight of 208.19 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 116642242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).