2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol

C12H10F3N3O — CID 118418257

IUPAC2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1-n1cc(C2CC2)nn1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)8-3-4-11(19)10(5-8)18-6-9(16-17-18)7-1-2-7/h3-7,19H,1-2H2
InChIKeyKJLCREXULQIVMR-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.87
Rot. Bonds2

About 2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol

2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol (PubChem CID 118418257) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol
PubChem CID118418257
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1-n1cc(C2CC2)nn1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)8-3-4-11(19)10(5-8)18-6-9(16-17-18)7-1-2-7/h3-7,19H,1-2H2
InChIKeyKJLCREXULQIVMR-UHFFFAOYSA-N
XLogP2.87
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol (CID 118418257) is 2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol is Oc1ccc(C(F)(F)F)cc1-n1cc(C2CC2)nn1.
What is the InChIKey of 2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol?
The InChIKey is KJLCREXULQIVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)8-3-4-11(19)10(5-8)18-6-9(16-17-18)7-1-2-7/h3-7,19H,1-2H2.
What are the key properties of 2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol?
2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol has a molecular weight of 269.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 118418257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).