2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine

C6H11FN4 — CID 116642361

IUPAC2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
SMILESNCCc1cn(CCF)nn1
InChIInChI=1S/C6H11FN4/c7-2-4-11-5-6(1-3-8)9-10-11/h5H,1-4,8H2
InChIKeyCBQCUBJOSRMDAZ-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.25
Rot. Bonds4

About 2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine

2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine (PubChem CID 116642361) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
PubChem CID116642361
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
SMILESNCCc1cn(CCF)nn1
InChIInChI=1S/C6H11FN4/c7-2-4-11-5-6(1-3-8)9-10-11/h5H,1-4,8H2
InChIKeyCBQCUBJOSRMDAZ-UHFFFAOYSA-N
XLogP-0.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine
CID 116642242
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid
CID 107461039
6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
CID 107706694
2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine
CID 116642052
2-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanamine
CID 116641837
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]ethanamine
CID 116641681
2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine
CID 116642379
2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanamine
CID 116641787
4-(2-bromoethyl)-1-(3-fluoropropyl)triazole
CID 81113923
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine (CID 116642361) is 2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine is NCCc1cn(CCF)nn1.
What is the InChIKey of 2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine?
The InChIKey is CBQCUBJOSRMDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c7-2-4-11-5-6(1-3-8)9-10-11/h5H,1-4,8H2.
What are the key properties of 2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine?
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine has a molecular weight of 158.18 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 116642361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).