1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol

C16H13F2N3O — CID 67760119

IUPAC1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol
SMILESOC(Cn1cnc(-c2ccccc2F)n1)c1ccc(F)cc1
InChIInChI=1S/C16H13F2N3O/c17-12-7-5-11(6-8-12)15(22)9-21-10-19-16(20-21)13-3-1-2-4-14(13)18/h1-8,10,15,22H,9H2
InChIKeyKUTTWWKYPHKEGW-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol

1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 67760119) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID67760119
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol
SMILESOC(Cn1cnc(-c2ccccc2F)n1)c1ccc(F)cc1
InChIInChI=1S/C16H13F2N3O/c17-12-7-5-11(6-8-12)15(22)9-21-10-19-16(20-21)13-3-1-2-4-14(13)18/h1-8,10,15,22H,9H2
InChIKeyKUTTWWKYPHKEGW-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol (CID 67760119) is 1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol is OC(Cn1cnc(-c2ccccc2F)n1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is KUTTWWKYPHKEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-12-7-5-11(6-8-12)15(22)9-21-10-19-16(20-21)13-3-1-2-4-14(13)18/h1-8,10,15,22H,9H2.
What are the key properties of 1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 301.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 67760119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).