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

C6H10FN3O — CID 84650877

IUPAC1-[3-(2-fluoroethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cnnn1CCF
InChIInChI=1S/C6H10FN3O/c1-5(11)6-4-8-9-10(6)3-2-7/h4-5,11H,2-3H2,1H3
InChIKeyBFSMMXWRPMNMPH-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.30
Rot. Bonds3

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

1-[3-(2-fluoroethyl)triazol-4-yl]ethanol (PubChem CID 84650877) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is 1-[3-(2-fluoroethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2-fluoroethyl)triazol-4-yl]ethanol
PubChem CID84650877
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC Name1-[3-(2-fluoroethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cnnn1CCF
InChIInChI=1S/C6H10FN3O/c1-5(11)6-4-8-9-10(6)3-2-7/h4-5,11H,2-3H2,1H3
InChIKeyBFSMMXWRPMNMPH-UHFFFAOYSA-N
XLogP0.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoroethyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[3-(2-fluoroethyl)triazol-4-yl]ethanol (CID 84650877) is 1-[3-(2-fluoroethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[3-(2-fluoroethyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[3-(2-fluoroethyl)triazol-4-yl]ethanol is CC(O)c1cnnn1CCF.
What is the InChIKey of 1-[3-(2-fluoroethyl)triazol-4-yl]ethanol?
The InChIKey is BFSMMXWRPMNMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O/c1-5(11)6-4-8-9-10(6)3-2-7/h4-5,11H,2-3H2,1H3.
What are the key properties of 1-[3-(2-fluoroethyl)triazol-4-yl]ethanol?
1-[3-(2-fluoroethyl)triazol-4-yl]ethanol has a molecular weight of 159.16 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoroethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 84650877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).