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

C10H10FN3O — CID 57417702

IUPAC2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1cnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H10FN3O/c11-9-3-1-8(2-4-9)10-12-7-14(13-10)5-6-15/h1-4,7,15H,5-6H2
InChIKeyKHCLESILWDSPTC-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.08
Rot. Bonds3

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

2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 57417702) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID57417702
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1cnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H10FN3O/c11-9-3-1-8(2-4-9)10-12-7-14(13-10)5-6-15/h1-4,7,15H,5-6H2
InChIKeyKHCLESILWDSPTC-UHFFFAOYSA-N
XLogP1.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol (CID 57417702) is 2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol is OCCn1cnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is KHCLESILWDSPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-9-3-1-8(2-4-9)10-12-7-14(13-10)5-6-15/h1-4,7,15H,5-6H2.
What are the key properties of 2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol?
2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 207.21 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 57417702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).