N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

C11H16F6N4 — CID 103312096

IUPACN-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1ncnn1CC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6N4/c1-3-18-7(5-8-19-6-20-21(8)4-2)9(10(12,13)14)11(15,16)17/h6-7,9,18H,3-5H2,1-2H3
InChIKeyNOOFECOLQPLJHO-UHFFFAOYSA-N
MW318.27 g/mol
LogP2.56
Rot. Bonds6

About N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312096) has the molecular formula C11H16F6N4 and a molecular weight of 318.27 g/mol. Its IUPAC name is N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
PubChem CID103312096
Molecular FormulaC11H16F6N4
Molecular Weight318.27 g/mol
Exact Mass318.13
IUPAC NameN-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1ncnn1CC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6N4/c1-3-18-7(5-8-19-6-20-21(8)4-2)9(10(12,13)14)11(15,16)17/h6-7,9,18H,3-5H2,1-2H3
InChIKeyNOOFECOLQPLJHO-UHFFFAOYSA-N
XLogP2.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine with MolForge

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Related Compounds

1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312559
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine
CID 116715785
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
CID 116725841
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 116718086
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052180
3-N-ethyl-4-(2-ethyl-1,2,4-triazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346632
4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001
[3-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105273812
N-ethyl-5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79954945
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (CID 103312096) is N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is CCNC(Cc1ncnn1CC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The InChIKey is NOOFECOLQPLJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N4/c1-3-18-7(5-8-19-6-20-21(8)4-2)9(10(12,13)14)11(15,16)17/h6-7,9,18H,3-5H2,1-2H3.
What are the key properties of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine has a molecular weight of 318.27 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).