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

C7H10F3N3O — CID 81444412

IUPAC1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCC(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O/c1-5(14)6-4-13(12-11-6)3-2-7(8,9)10/h4-5,14H,2-3H2,1H3
InChIKeySDDBEBVFLUFHGI-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.28
Rot. Bonds3

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

1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol (PubChem CID 81444412) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol
PubChem CID81444412
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCC(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O/c1-5(14)6-4-13(12-11-6)3-2-7(8,9)10/h4-5,14H,2-3H2,1H3
InChIKeySDDBEBVFLUFHGI-UHFFFAOYSA-N
XLogP1.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol (CID 81444412) is 1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol is CC(O)c1cn(CCC(F)(F)F)nn1.
What is the InChIKey of 1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol?
The InChIKey is SDDBEBVFLUFHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-5(14)6-4-13(12-11-6)3-2-7(8,9)10/h4-5,14H,2-3H2,1H3.
What are the key properties of 1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol?
1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol has a molecular weight of 209.17 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol is sourced from PubChem (CID 81444412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).