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

C7H8F3N3O3 — CID 107461395

IUPAC2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(CCOC(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3O3/c8-7(9,10)16-2-1-13-4-5(11-12-13)3-6(14)15/h4H,1-3H2,(H,14,15)
InChIKeyCZMFARJTMQKLGW-UHFFFAOYSA-N
MW239.15 g/mol
LogP0.44
Rot. Bonds5

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

2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid (PubChem CID 107461395) has the molecular formula C7H8F3N3O3 and a molecular weight of 239.15 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid
PubChem CID107461395
Molecular FormulaC7H8F3N3O3
Molecular Weight239.15 g/mol
Exact Mass239.05
IUPAC Name2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(CCOC(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3O3/c8-7(9,10)16-2-1-13-4-5(11-12-13)3-6(14)15/h4H,1-3H2,(H,14,15)
InChIKeyCZMFARJTMQKLGW-UHFFFAOYSA-N
XLogP0.44
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]pentanoic acid
CID 104538693
2-[1-(3-fluoropropyl)triazol-4-yl]acetic acid
CID 107461782
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
CID 66192704
2-[1-(3-aminopropyl)triazol-4-yl]acetic acid
CID 107461829
5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]pentanoic acid
CID 104538699
2-[1-(3-hydroxybutyl)triazol-4-yl]acetic acid
CID 107461319
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
2-[1-(3-methylsulfanylpropyl)triazol-4-yl]acetic acid
CID 107461478
2-[1-[3-(dimethylamino)propyl]triazol-4-yl]acetic acid
CID 107461296
2-[1-[3-(3,5-dimethylphenoxy)propyl]triazol-4-yl]acetic acid
CID 107461459
2-[1-[3-(4-chlorophenoxy)propyl]triazol-4-yl]acetic acid
CID 107461470
2-[1-(2-hydroxybutyl)triazol-4-yl]acetic acid
CID 107461469

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid (CID 107461395) is 2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid is O=C(O)Cc1cn(CCOC(F)(F)F)nn1.
What is the InChIKey of 2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid?
The InChIKey is CZMFARJTMQKLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O3/c8-7(9,10)16-2-1-13-4-5(11-12-13)3-6(14)15/h4H,1-3H2,(H,14,15).
What are the key properties of 2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid?
2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid has a molecular weight of 239.15 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid is sourced from PubChem (CID 107461395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).