1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol

C7H9F3N2O2 — CID 55231077

IUPAC1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCc1noc(C(C)C(O)C(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O2/c1-3(5(13)7(8,9)10)6-11-4(2)12-14-6/h3,5,13H,1-2H3
InChIKeyRINQQQGBVWQKEJ-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.40
Rot. Bonds2

About 1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol

1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 55231077) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID55231077
Molecular FormulaC7H9F3N2O2
Molecular Weight210.16 g/mol
Exact Mass210.06
IUPAC Name1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCc1noc(C(C)C(O)C(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O2/c1-3(5(13)7(8,9)10)6-11-4(2)12-14-6/h3,5,13H,1-2H3
InChIKeyRINQQQGBVWQKEJ-UHFFFAOYSA-N
XLogP1.40
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 55231077) is 1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol is Cc1noc(C(C)C(O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is RINQQQGBVWQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-3(5(13)7(8,9)10)6-11-4(2)12-14-6/h3,5,13H,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 210.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 55231077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).