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

C8H11F3N2O2 — CID 79964447

IUPAC3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESOCCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)4-3-6-12-7(15-13-6)2-1-5-14/h14H,1-5H2
InChIKeyBBDMEBSGRKEHSY-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.49
Rot. Bonds5

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

3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 79964447) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID79964447
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESOCCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)4-3-6-12-7(15-13-6)2-1-5-14/h14H,1-5H2
InChIKeyBBDMEBSGRKEHSY-UHFFFAOYSA-N
XLogP1.49
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660181
4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525870
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
4-methyl-N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 79954373
5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol
CID 167077907
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 106815759
2-amino-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79954872
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191511
N-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79955022
[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162275
5-methyl-3-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carbonitrile
CID 106525864
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111110109

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 79964447) is 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is OCCCc1nc(CCC(F)(F)F)no1.
What is the InChIKey of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is BBDMEBSGRKEHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)4-3-6-12-7(15-13-6)2-1-5-14/h14H,1-5H2.
What are the key properties of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 224.18 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 79964447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).