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

C5H8FN3O — CID 57296588

IUPAC2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1cnc(CF)n1
InChIInChI=1S/C5H8FN3O/c6-3-5-7-4-9(8-5)1-2-10/h4,10H,1-3H2
InChIKeyGRSWIBDCPWIDRO-UHFFFAOYSA-N
MW145.14 g/mol
LogP-0.26
Rot. Bonds3

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

2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 57296588) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID57296588
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1cnc(CF)n1
InChIInChI=1S/C5H8FN3O/c6-3-5-7-4-9(8-5)1-2-10/h4,10H,1-3H2
InChIKeyGRSWIBDCPWIDRO-UHFFFAOYSA-N
XLogP-0.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol (CID 57296588) is 2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol is OCCn1cnc(CF)n1.
What is the InChIKey of 2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is GRSWIBDCPWIDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c6-3-5-7-4-9(8-5)1-2-10/h4,10H,1-3H2.
What are the key properties of 2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol?
2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 145.14 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 57296588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).