[5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol

C11H11F2N3O — CID 123900122

IUPAC[5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol
SMILESCC(F)c1nnn(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C11H11F2N3O/c1-7(12)11-10(6-17)16(15-14-11)9-4-2-8(13)3-5-9/h2-5,7,17H,6H2,1H3
InChIKeyYEYZELQIHFWCTP-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.93
Rot. Bonds3

About [5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol

[5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol (PubChem CID 123900122) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is [5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol
PubChem CID123900122
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name[5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol
SMILESCC(F)c1nnn(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C11H11F2N3O/c1-7(12)11-10(6-17)16(15-14-11)9-4-2-8(13)3-5-9/h2-5,7,17H,6H2,1H3
InChIKeyYEYZELQIHFWCTP-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol (CID 123900122) is [5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol is CC(F)c1nnn(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is YEYZELQIHFWCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-7(12)11-10(6-17)16(15-14-11)9-4-2-8(13)3-5-9/h2-5,7,17H,6H2,1H3.
What are the key properties of [5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol?
[5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol has a molecular weight of 239.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 123900122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).