2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol

C8H12F3N3O2 — CID 62401877

IUPAC2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)6-16-4-2-14-5-7(1-3-15)12-13-14/h5,15H,1-4,6H2
InChIKeyPHMHGLZUZGHHBQ-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.39
Rot. Bonds6

About 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol

2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol (PubChem CID 62401877) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol
PubChem CID62401877
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)6-16-4-2-14-5-7(1-3-15)12-13-14/h5,15H,1-4,6H2
InChIKeyPHMHGLZUZGHHBQ-UHFFFAOYSA-N
XLogP0.39
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-Hydroxyethyl)-1H-1,2,3-triazole-1-acetic acid
CID 80703719
methyl 2-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71756732
tert-butyl 2-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 121552734
2-[1-(2,2-diethoxyethyl)-1H-1,2,3-triazol-4-yl]ethan-1-ol
CID 50988016
2-[4-(2-Hydroxyethyl)-1h-1,2,3-triazol-1-yl]-ethane-1,1-diol
CID 134693278
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]triazol-4-yl]methanol
CID 62400537
[1-[3-(2,2,2-Trifluoroethoxy)propyl]triazol-4-yl]methanol
CID 62400713
2-[1-(2,2,2-Trifluoroethyl)triazol-4-yl]ethanol
CID 62401128
2-[1-[3-(2,2,2-Trifluoroethoxy)propyl]triazol-4-yl]ethanol
CID 62401303
2-[1-(2,2-Difluoroethyl)triazol-4-yl]ethanol
CID 62402059
1,1,1-Trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol
CID 63899266
2-[1-(3,3,3-Trifluoropropyl)triazol-4-yl]ethanol
CID 64565540

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol (CID 62401877) is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol is OCCc1cn(CCOCC(F)(F)F)nn1.
What is the InChIKey of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol?
The InChIKey is PHMHGLZUZGHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)6-16-4-2-14-5-7(1-3-15)12-13-14/h5,15H,1-4,6H2.
What are the key properties of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol?
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol has a molecular weight of 239.20 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62401877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).