2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid

C7H10FN3O2 — CID 84660872

IUPAC2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid
SMILESCC(C(=O)O)c1ncnn1CCF
InChIInChI=1S/C7H10FN3O2/c1-5(7(12)13)6-9-4-10-11(6)3-2-8/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyXOAJEBALHPZZPO-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.44
Rot. Bonds4

About 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid

2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid (PubChem CID 84660872) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid
PubChem CID84660872
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid
SMILESCC(C(=O)O)c1ncnn1CCF
InChIInChI=1S/C7H10FN3O2/c1-5(7(12)13)6-9-4-10-11(6)3-2-8/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyXOAJEBALHPZZPO-UHFFFAOYSA-N
XLogP0.44
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,3-difluorobutyl)-1,2,4-triazol-3-yl]propanoic acid
CID 84696446
2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid
CID 84660505
ethyl 2-(2-methyl-1,2,4-triazol-3-yl)propanoate
CID 79472097
1-(3,3-difluoropropyl)-5-propan-2-yl-1,2,4-triazole
CID 166500003
4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 125437669
4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 132586738
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
ethyl 2-(aminomethyl)-4-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentanoate
CID 106488835
1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 119065761
1-(2-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-one
CID 130529478
(2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine
CID 112744766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid?
The IUPAC name of 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid (CID 84660872) is 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid.
What is the SMILES notation for 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid?
The canonical SMILES for 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid is CC(C(=O)O)c1ncnn1CCF.
What is the InChIKey of 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid?
The InChIKey is XOAJEBALHPZZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-5(7(12)13)6-9-4-10-11(6)3-2-8/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid?
2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid has a molecular weight of 187.17 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid is sourced from PubChem (CID 84660872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).