1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol

C12H12FN3O — CID 146108350

IUPAC1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol
SMILESOC1(c2cn(-c3cccc(F)c3)nn2)CCC1
InChIInChI=1S/C12H12FN3O/c13-9-3-1-4-10(7-9)16-8-11(14-15-16)12(17)5-2-6-12/h1,3-4,7-8,17H,2,5-6H2
InChIKeyADEVQLLRDNZHKR-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.78
Rot. Bonds2

About 1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol

1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol (PubChem CID 146108350) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol
PubChem CID146108350
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol
SMILESOC1(c2cn(-c3cccc(F)c3)nn2)CCC1
InChIInChI=1S/C12H12FN3O/c13-9-3-1-4-10(7-9)16-8-11(14-15-16)12(17)5-2-6-12/h1,3-4,7-8,17H,2,5-6H2
InChIKeyADEVQLLRDNZHKR-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol?
The IUPAC name of 1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol (CID 146108350) is 1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol is OC1(c2cn(-c3cccc(F)c3)nn2)CCC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol?
The InChIKey is ADEVQLLRDNZHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-9-3-1-4-10(7-9)16-8-11(14-15-16)12(17)5-2-6-12/h1,3-4,7-8,17H,2,5-6H2.
What are the key properties of 1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol?
1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol has a molecular weight of 233.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 146108350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).