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

C7H10FN3O2 — CID 84660874

IUPAC2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid
SMILESO=C(O)Cc1ncnn1CCCF
InChIInChI=1S/C7H10FN3O2/c8-2-1-3-11-6(4-7(12)13)9-5-10-11/h5H,1-4H2,(H,12,13)
InChIKeyQBIGSLFHEARPOF-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.26
Rot. Bonds5

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

2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid (PubChem CID 84660874) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid
PubChem CID84660874
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid
SMILESO=C(O)Cc1ncnn1CCCF
InChIInChI=1S/C7H10FN3O2/c8-2-1-3-11-6(4-7(12)13)9-5-10-11/h5H,1-4H2,(H,12,13)
InChIKeyQBIGSLFHEARPOF-UHFFFAOYSA-N
XLogP0.26
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid?
The IUPAC name of 2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid (CID 84660874) is 2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid is O=C(O)Cc1ncnn1CCCF.
What is the InChIKey of 2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid?
The InChIKey is QBIGSLFHEARPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c8-2-1-3-11-6(4-7(12)13)9-5-10-11/h5H,1-4H2,(H,12,13).
What are the key properties of 2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid?
2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid has a molecular weight of 187.17 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]acetic acid is sourced from PubChem (CID 84660874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).