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

C6H8FN3O2 — CID 84654542

IUPAC2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid
SMILESO=C(O)Cc1ncnn1CCF
InChIInChI=1S/C6H8FN3O2/c7-1-2-10-5(3-6(11)12)8-4-9-10/h4H,1-3H2,(H,11,12)
InChIKeyJVHPMRKPPGOPFR-UHFFFAOYSA-N
MW173.15 g/mol
LogP-0.13
Rot. Bonds4

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

2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid (PubChem CID 84654542) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid
PubChem CID84654542
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC Name2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid
SMILESO=C(O)Cc1ncnn1CCF
InChIInChI=1S/C6H8FN3O2/c7-1-2-10-5(3-6(11)12)8-4-9-10/h4H,1-3H2,(H,11,12)
InChIKeyJVHPMRKPPGOPFR-UHFFFAOYSA-N
XLogP-0.13
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 132372528
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CID 155973633
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CID 165979655
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CID 1096341
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CID 54443549
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CID 62695099

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid?
The IUPAC name of 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid (CID 84654542) is 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid is O=C(O)Cc1ncnn1CCF.
What is the InChIKey of 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid?
The InChIKey is JVHPMRKPPGOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c7-1-2-10-5(3-6(11)12)8-4-9-10/h4H,1-3H2,(H,11,12).
What are the key properties of 2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid?
2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]acetic acid has a molecular weight of 173.15 g/mol, XLogP of -0.13, 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]acetic acid is sourced from PubChem (CID 84654542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).