1-[1-(3-fluoropropyl)triazol-4-yl]ethanol

C7H12FN3O — CID 81444120

IUPAC1-[1-(3-fluoropropyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCCF)nn1
InChIInChI=1S/C7H12FN3O/c1-6(12)7-5-11(10-9-7)4-2-3-8/h5-6,12H,2-4H2,1H3
InChIKeyGIWQIJLXBZOXDC-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.69
Rot. Bonds4

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

1-[1-(3-fluoropropyl)triazol-4-yl]ethanol (PubChem CID 81444120) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is 1-[1-(3-fluoropropyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-fluoropropyl)triazol-4-yl]ethanol
PubChem CID81444120
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name1-[1-(3-fluoropropyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCCF)nn1
InChIInChI=1S/C7H12FN3O/c1-6(12)7-5-11(10-9-7)4-2-3-8/h5-6,12H,2-4H2,1H3
InChIKeyGIWQIJLXBZOXDC-UHFFFAOYSA-N
XLogP0.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoropropyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(3-fluoropropyl)triazol-4-yl]ethanol (CID 81444120) is 1-[1-(3-fluoropropyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(3-fluoropropyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(3-fluoropropyl)triazol-4-yl]ethanol is CC(O)c1cn(CCCF)nn1.
What is the InChIKey of 1-[1-(3-fluoropropyl)triazol-4-yl]ethanol?
The InChIKey is GIWQIJLXBZOXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O/c1-6(12)7-5-11(10-9-7)4-2-3-8/h5-6,12H,2-4H2,1H3.
What are the key properties of 1-[1-(3-fluoropropyl)triazol-4-yl]ethanol?
1-[1-(3-fluoropropyl)triazol-4-yl]ethanol has a molecular weight of 173.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoropropyl)triazol-4-yl]ethanol is sourced from PubChem (CID 81444120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).