2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol

C11H11F2N3O — CID 55066656

IUPAC2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2cccc(F)c2F)nn1
InChIInChI=1S/C11H11F2N3O/c12-10-3-1-2-8(11(10)13)6-16-7-9(4-5-17)14-15-16/h1-3,7,17H,4-6H2
InChIKeyIKLUCCSSOWFFBP-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.14
Rot. Bonds4

About 2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol

2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol (PubChem CID 55066656) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol
PubChem CID55066656
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2cccc(F)c2F)nn1
InChIInChI=1S/C11H11F2N3O/c12-10-3-1-2-8(11(10)13)6-16-7-9(4-5-17)14-15-16/h1-3,7,17H,4-6H2
InChIKeyIKLUCCSSOWFFBP-UHFFFAOYSA-N
XLogP1.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]acetic acid
CID 107461349
2-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 102858574
2-amino-N-[[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778664
2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
CID 55066755
4-(1-bromoethyl)-1-[(2,3-difluorophenyl)methyl]triazole
CID 81448341
3-[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]propanoic acid
CID 107460776
3-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106221711
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
CID 114933213
2-[1-[(5-fluoro-2-nitrophenyl)methyl]triazol-4-yl]ethanol
CID 62402055
2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol
CID 138056433
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethanol
CID 62402234
4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole
CID 62399901

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol (CID 55066656) is 2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol is OCCc1cn(Cc2cccc(F)c2F)nn1.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol?
The InChIKey is IKLUCCSSOWFFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-10-3-1-2-8(11(10)13)6-16-7-9(4-5-17)14-15-16/h1-3,7,17H,4-6H2.
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol?
2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol has a molecular weight of 239.22 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 55066656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).