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

C7H10F3N3O — CID 64565540

IUPAC2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol
SMILESOCCc1cn(CCC(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)2-3-13-5-6(1-4-14)11-12-13/h5,14H,1-4H2
InChIKeyKQRXTYWBXPUXPR-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.77
Rot. Bonds4

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

2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol (PubChem CID 64565540) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol
PubChem CID64565540
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol
SMILESOCCc1cn(CCC(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)2-3-13-5-6(1-4-14)11-12-13/h5,14H,1-4H2
InChIKeyKQRXTYWBXPUXPR-UHFFFAOYSA-N
XLogP0.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol (CID 64565540) is 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol is OCCc1cn(CCC(F)(F)F)nn1.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol?
The InChIKey is KQRXTYWBXPUXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c8-7(9,10)2-3-13-5-6(1-4-14)11-12-13/h5,14H,1-4H2.
What are the key properties of 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol?
2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol has a molecular weight of 209.17 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanol is sourced from PubChem (CID 64565540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).