[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol

C6H7F3N2O2 — CID 102660181

IUPAC[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(CCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)2-1-5-10-4(3-12)11-13-5/h12H,1-3H2
InChIKeyUAZSBKJAHKHXGF-UHFFFAOYSA-N
MW196.13 g/mol
LogP1.06
Rot. Bonds3

About [5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol

[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660181) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is [5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660181
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC Name[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(CCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)2-1-5-10-4(3-12)11-13-5/h12H,1-3H2
InChIKeyUAZSBKJAHKHXGF-UHFFFAOYSA-N
XLogP1.06
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79964447
4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525870
[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660427
[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660353
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660354
4-methyl-N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 79954373
[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162275
[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660376
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
2-amino-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79954872
[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 56763752

Frequently Asked Questions

What is the IUPAC name of [5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660181) is [5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(CCC(F)(F)F)n1.
What is the InChIKey of [5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is UAZSBKJAHKHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c7-6(8,9)2-1-5-10-4(3-12)11-13-5/h12H,1-3H2.
What are the key properties of [5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 196.13 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).