2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol

C9H12F3N3O2 — CID 67945175

IUPAC2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol
SMILESOC(C1CCC(Cn2cncn2)O1)C(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)8(16)7-2-1-6(17-7)3-15-5-13-4-14-15/h4-8,16H,1-3H2
InChIKeySAWYSBKHNAOKCR-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.75
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol

2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol (PubChem CID 67945175) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol
PubChem CID67945175
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol
SMILESOC(C1CCC(Cn2cncn2)O1)C(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)8(16)7-2-1-6(17-7)3-15-5-13-4-14-15/h4-8,16H,1-3H2
InChIKeySAWYSBKHNAOKCR-UHFFFAOYSA-N
XLogP0.75
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol (CID 67945175) is 2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol is OC(C1CCC(Cn2cncn2)O1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol?
The InChIKey is SAWYSBKHNAOKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)8(16)7-2-1-6(17-7)3-15-5-13-4-14-15/h4-8,16H,1-3H2.
What are the key properties of 2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol?
2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol has a molecular weight of 251.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol is sourced from PubChem (CID 67945175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).