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

C7H12FN3O — CID 123826455

IUPAC2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1cnc(CCCF)n1
InChIInChI=1S/C7H12FN3O/c8-3-1-2-7-9-6-11(10-7)4-5-12/h6,12H,1-5H2
InChIKeyOOQDHKRFOGEVKC-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.17
Rot. Bonds5

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

2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 123826455) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID123826455
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1cnc(CCCF)n1
InChIInChI=1S/C7H12FN3O/c8-3-1-2-7-9-6-11(10-7)4-5-12/h6,12H,1-5H2
InChIKeyOOQDHKRFOGEVKC-UHFFFAOYSA-N
XLogP0.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol (CID 123826455) is 2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol is OCCn1cnc(CCCF)n1.
What is the InChIKey of 2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is OOQDHKRFOGEVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O/c8-3-1-2-7-9-6-11(10-7)4-5-12/h6,12H,1-5H2.
What are the key properties of 2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol?
2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 173.19 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoropropyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 123826455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).