2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol

C7H12FN3O — CID 84654618

IUPAC2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cnnn1CCF
InChIInChI=1S/C7H12FN3O/c1-7(2,12)6-5-9-10-11(6)4-3-8/h5,12H,3-4H2,1-2H3
InChIKeyLOBKDTSXAAQLCQ-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.47
Rot. Bonds3

About 2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol

2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol (PubChem CID 84654618) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol
PubChem CID84654618
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cnnn1CCF
InChIInChI=1S/C7H12FN3O/c1-7(2,12)6-5-9-10-11(6)4-3-8/h5,12H,3-4H2,1-2H3
InChIKeyLOBKDTSXAAQLCQ-UHFFFAOYSA-N
XLogP0.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethyltriazol-4-yl)propan-2-ol
CID 115012063
2-(3-benzyltriazol-4-yl)propan-2-ol
CID 11687175
2-hydroxy-2-(3-propyltriazol-4-yl)propanal
CID 114685149
(1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol
CID 165459336
2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol
CID 114684625
1-(4-ethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114684630
2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol
CID 117167342
5-(1,1,2,2,2-pentafluoroethyl)-1-pentyltriazole
CID 150407449
1-(3-methylthiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol
CID 114685000
4-[1-hydroxy-1-(3-propyltriazol-4-yl)ethyl]benzonitrile
CID 114685333
4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol
CID 117167347
1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol
CID 114910774

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol (CID 84654618) is 2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol is CC(C)(O)c1cnnn1CCF.
What is the InChIKey of 2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol?
The InChIKey is LOBKDTSXAAQLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O/c1-7(2,12)6-5-9-10-11(6)4-3-8/h5,12H,3-4H2,1-2H3.
What are the key properties of 2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol?
2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol has a molecular weight of 173.19 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 84654618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).