1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol

C11H12FN3O — CID 134518770

IUPAC1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol
SMILESCc1c(C(C)O)nnn1-c1ccccc1F
InChIInChI=1S/C11H12FN3O/c1-7-11(8(2)16)13-14-15(7)10-6-4-3-5-9(10)12/h3-6,8,16H,1-2H3
InChIKeyCDKYSOXXJYTPSW-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.77
Rot. Bonds2

About 1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol

1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol (PubChem CID 134518770) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol
PubChem CID134518770
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol
SMILESCc1c(C(C)O)nnn1-c1ccccc1F
InChIInChI=1S/C11H12FN3O/c1-7-11(8(2)16)13-14-15(7)10-6-4-3-5-9(10)12/h3-6,8,16H,1-2H3
InChIKeyCDKYSOXXJYTPSW-UHFFFAOYSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol (CID 134518770) is 1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol is Cc1c(C(C)O)nnn1-c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol?
The InChIKey is CDKYSOXXJYTPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7-11(8(2)16)13-14-15(7)10-6-4-3-5-9(10)12/h3-6,8,16H,1-2H3.
What are the key properties of 1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol?
1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol has a molecular weight of 221.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanol is sourced from PubChem (CID 134518770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).