2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid

C10H8FN3O2 — CID 115032431

IUPAC2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nncc1-c1ccccc1F
InChIInChI=1S/C10H8FN3O2/c11-8-4-2-1-3-7(8)9-5-12-13-14(9)6-10(15)16/h1-5H,6H2,(H,15,16)
InChIKeyWPJAPDLNBXDCND-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.17
Rot. Bonds3

About 2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid

2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid (PubChem CID 115032431) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid
PubChem CID115032431
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nncc1-c1ccccc1F
InChIInChI=1S/C10H8FN3O2/c11-8-4-2-1-3-7(8)9-5-12-13-14(9)6-10(15)16/h1-5H,6H2,(H,15,16)
InChIKeyWPJAPDLNBXDCND-UHFFFAOYSA-N
XLogP1.17
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid (CID 115032431) is 2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid is O=C(O)Cn1nncc1-c1ccccc1F.
What is the InChIKey of 2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid?
The InChIKey is WPJAPDLNBXDCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-8-4-2-1-3-7(8)9-5-12-13-14(9)6-10(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid?
2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid has a molecular weight of 221.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 115032431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).