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

C16H13F2N3O — CID 67757741

IUPAC1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(O)(c1ccccc1F)n1cnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H13F2N3O/c1-16(22,13-4-2-3-5-14(13)18)21-10-19-15(20-21)11-6-8-12(17)9-7-11/h2-10,22H,1H3
InChIKeyGKMUUCYXNSVDCX-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.94
Rot. Bonds3

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

1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 67757741) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID67757741
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(O)(c1ccccc1F)n1cnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H13F2N3O/c1-16(22,13-4-2-3-5-14(13)18)21-10-19-15(20-21)11-6-8-12(17)9-7-11/h2-10,22H,1H3
InChIKeyGKMUUCYXNSVDCX-UHFFFAOYSA-N
XLogP2.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol (CID 67757741) is 1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol is CC(O)(c1ccccc1F)n1cnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is GKMUUCYXNSVDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c1-16(22,13-4-2-3-5-14(13)18)21-10-19-15(20-21)11-6-8-12(17)9-7-11/h2-10,22H,1H3.
What are the key properties of 1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 301.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 67757741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).