2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid

C10H8FN3O2 — CID 83642133

IUPAC2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C10H8FN3O2/c11-7-1-3-9(4-2-7)14-6-8(12-13-14)5-10(15)16/h1-4,6H,5H2,(H,15,16)
InChIKeyIPUDWZFTFRGFAP-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.03
Rot. Bonds3

About 2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid

2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid (PubChem CID 83642133) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid
PubChem CID83642133
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C10H8FN3O2/c11-7-1-3-9(4-2-7)14-6-8(12-13-14)5-10(15)16/h1-4,6H,5H2,(H,15,16)
InChIKeyIPUDWZFTFRGFAP-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-bromo-4-fluorophenyl)triazol-4-yl]acetic acid
CID 107461214
2-[1-(2,3,4,5,6-pentafluorophenyl)triazol-4-yl]acetic acid
CID 107461204
2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid
CID 107528876
2-[1-(4-butylphenyl)triazol-4-yl]acetic acid
CID 112519149
2-[1-(2-bromo-5-fluorophenyl)triazol-4-yl]acetic acid
CID 107626227
N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-N-methylacetamide
CID 165454549
2-[1-(3-fluoro-5-nitrophenyl)triazol-4-yl]acetic acid
CID 107461230
2-[1-[4-[2-(diethylamino)ethoxy]phenyl]triazol-4-yl]acetic acid
CID 130228631
2-[1-(4-bromo-2-fluorophenyl)triazol-4-yl]acetic acid
CID 107461136
2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid
CID 130228409
2-[1-(3-chloro-4-nitrophenyl)triazol-4-yl]acetic acid
CID 107461208
1-[1-(4-chlorophenyl)triazol-4-yl]propan-2-one
CID 117167684

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid (CID 83642133) is 2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid is O=C(O)Cc1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of 2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid?
The InChIKey is IPUDWZFTFRGFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-7-1-3-9(4-2-7)14-6-8(12-13-14)5-10(15)16/h1-4,6H,5H2,(H,15,16).
What are the key properties of 2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid?
2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid has a molecular weight of 221.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid is sourced from PubChem (CID 83642133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).