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

C5H6F3N3O — CID 166119372

IUPAC1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol
SMILESOC(Cc1cn[nH]n1)C(F)(F)F
InChIInChI=1S/C5H6F3N3O/c6-5(7,8)4(12)1-3-2-9-11-10-3/h2,4,12H,1H2,(H,9,10,11)
InChIKeySYHKCOBHQMPFGC-UHFFFAOYSA-N
MW181.12 g/mol
LogP0.27
Rot. Bonds2

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

1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol (PubChem CID 166119372) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol
PubChem CID166119372
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC Name1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol
SMILESOC(Cc1cn[nH]n1)C(F)(F)F
InChIInChI=1S/C5H6F3N3O/c6-5(7,8)4(12)1-3-2-9-11-10-3/h2,4,12H,1H2,(H,9,10,11)
InChIKeySYHKCOBHQMPFGC-UHFFFAOYSA-N
XLogP0.27
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 19392414
Glycidyl triazole
CID 18953329
1,3-Bis-triazolyl-2-propanol
CID 22114361
Triazolylpropan-2-ol
CID 69279241
1-(2,2-difluorocyclopropyl)-2-(2H-triazol-4-yl)ethanol
CID 67882521
1-fluoro-1,3-bis(2H-triazol-4-yl)propan-2-ol
CID 70472972
5-ethoxy-3,4,5-trifluoro-1-(2H-triazol-4-yl)pent-4-en-2-ol
CID 141554537
1-(2H-triazol-4-yl)-4-trimethylsilylbutan-2-ol
CID 91226875
Triazol-yl-pentan-3-ol
CID 129699895
4,4,4-trifluoro-1-(2H-triazol-4-yl)butan-1-ol
CID 80494538
5,5,5-trifluoro-1-(2H-triazol-4-yl)pentan-1-ol
CID 115516220
1,1,1-Trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol
CID 130815303

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol (CID 166119372) is 1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol is OC(Cc1cn[nH]n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol?
The InChIKey is SYHKCOBHQMPFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c6-5(7,8)4(12)1-3-2-9-11-10-3/h2,4,12H,1H2,(H,9,10,11).
What are the key properties of 1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol?
1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol has a molecular weight of 181.12 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2H-triazol-4-yl)propan-2-ol is sourced from PubChem (CID 166119372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).