5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol

C7H10F3N3O — CID 115516220

IUPAC5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cn[nH]n1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)3-1-2-6(14)5-4-11-13-12-5/h4,6,14H,1-3H2,(H,11,12,13)
InChIKeyBWQLHPXJKYDILU-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.57
Rot. Bonds4

About 5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol

5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol (PubChem CID 115516220) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol
PubChem CID115516220
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cn[nH]n1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)3-1-2-6(14)5-4-11-13-12-5/h4,6,14H,1-3H2,(H,11,12,13)
InChIKeyBWQLHPXJKYDILU-UHFFFAOYSA-N
XLogP1.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol (CID 115516220) is 5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol is OC(CCCC(F)(F)F)c1cn[nH]n1.
What is the InChIKey of 5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol?
The InChIKey is BWQLHPXJKYDILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c8-7(9,10)3-1-2-6(14)5-4-11-13-12-5/h4,6,14H,1-3H2,(H,11,12,13).
What are the key properties of 5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol?
5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol has a molecular weight of 209.17 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol is sourced from PubChem (CID 115516220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).