1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol

C5H8FN3O — CID 130933228

IUPAC1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CF)Cn1cncn1
InChIInChI=1S/C5H8FN3O/c6-1-5(10)2-9-4-7-3-8-9/h3-5,10H,1-2H2
InChIKeyOJROXCLGHKRUBV-UHFFFAOYSA-N
MW145.14 g/mol
LogP-0.39
Rot. Bonds3

About 1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol

1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 130933228) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID130933228
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CF)Cn1cncn1
InChIInChI=1S/C5H8FN3O/c6-1-5(10)2-9-4-7-3-8-9/h3-5,10H,1-2H2
InChIKeyOJROXCLGHKRUBV-UHFFFAOYSA-N
XLogP-0.39
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 ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 130933228) is 1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(CF)Cn1cncn1.
What is the InChIKey of 1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is OJROXCLGHKRUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c6-1-5(10)2-9-4-7-3-8-9/h3-5,10H,1-2H2.
What are the key properties of 1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 145.14 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 130933228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).