1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C7H9F3N2O2 — CID 82007979

IUPAC1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCC(O)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C7H9F3N2O2/c1-2-4(13)3-5-11-6(12-14-5)7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyCQRSGOQOGDGVIT-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.40
Rot. Bonds3

About 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 82007979) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID82007979
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCC(O)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C7H9F3N2O2/c1-2-4(13)3-5-11-6(12-14-5)7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyCQRSGOQOGDGVIT-UHFFFAOYSA-N
XLogP1.40
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79197851
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116780588
N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82008567
[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 56763752
N-ethyl-3-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82007807
4-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82008569
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 56760730
1,1,1-trifluoro-3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780584
4-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503214
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82008043
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65141559
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 82007979) is 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CCC(O)Cc1nc(C(F)(F)F)no1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is CQRSGOQOGDGVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-2-4(13)3-5-11-6(12-14-5)7(8,9)10/h4,13H,2-3H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 210.15 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 82007979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).