2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol

C14H16FN3O — CID 138052176

IUPAC2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol
SMILESOC(Cn1cc(C2CCC2)nn1)c1cccc(F)c1
InChIInChI=1S/C14H16FN3O/c15-12-6-2-5-11(7-12)14(19)9-18-8-13(16-17-18)10-3-1-4-10/h2,5-8,10,14,19H,1,3-4,9H2
InChIKeyYCGKVAPDEDWGMP-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.42
Rot. Bonds4

About 2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol

2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol (PubChem CID 138052176) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol
PubChem CID138052176
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol
SMILESOC(Cn1cc(C2CCC2)nn1)c1cccc(F)c1
InChIInChI=1S/C14H16FN3O/c15-12-6-2-5-11(7-12)14(19)9-18-8-13(16-17-18)10-3-1-4-10/h2,5-8,10,14,19H,1,3-4,9H2
InChIKeyYCGKVAPDEDWGMP-UHFFFAOYSA-N
XLogP2.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol (CID 138052176) is 2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol is OC(Cn1cc(C2CCC2)nn1)c1cccc(F)c1.
What is the InChIKey of 2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol?
The InChIKey is YCGKVAPDEDWGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-6-2-5-11(7-12)14(19)9-18-8-13(16-17-18)10-3-1-4-10/h2,5-8,10,14,19H,1,3-4,9H2.
What are the key properties of 2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol?
2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol has a molecular weight of 261.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 138052176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).