1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol

C11H11F2N3O — CID 107045905

IUPAC1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C11H11F2N3O/c1-16-6-8(14-15-16)5-11(17)7-2-3-9(12)10(13)4-7/h2-4,6,11,17H,5H2,1H3
InChIKeyMYPJUCYRYHOGLR-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.37
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol

1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107045905) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107045905
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C11H11F2N3O/c1-16-6-8(14-15-16)5-11(17)7-2-3-9(12)10(13)4-7/h2-4,6,11,17H,5H2,1H3
InChIKeyMYPJUCYRYHOGLR-UHFFFAOYSA-N
XLogP1.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol (CID 107045905) is 1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2ccc(F)c(F)c2)nn1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is MYPJUCYRYHOGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-6-8(14-15-16)5-11(17)7-2-3-9(12)10(13)4-7/h2-4,6,11,17H,5H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 239.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107045905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).