(1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol

C11H8F4N2O2 — CID 67278867

IUPAC(1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESC[C@H](O)c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1
InChIInChI=1S/C11H8F4N2O2/c1-5(18)10-16-9(17-19-10)6-2-7(11(13,14)15)4-8(12)3-6/h2-5,18H,1H3/t5-/m0/s1
InChIKeyWOBNYPYYJSLSSI-YFKPBYRVSA-N
MW276.19 g/mol
LogP2.95
Rot. Bonds2

About (1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol

(1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 67278867) has the molecular formula C11H8F4N2O2 and a molecular weight of 276.19 g/mol. Its IUPAC name is (1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID67278867
Molecular FormulaC11H8F4N2O2
Molecular Weight276.19 g/mol
Exact Mass276.05
IUPAC Name(1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESC[C@H](O)c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1
InChIInChI=1S/C11H8F4N2O2/c1-5(18)10-16-9(17-19-10)6-2-7(11(13,14)15)4-8(12)3-6/h2-5,18H,1H3/t5-/m0/s1
InChIKeyWOBNYPYYJSLSSI-YFKPBYRVSA-N
XLogP2.95
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 67278867) is (1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol is C[C@H](O)c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1.
What is the InChIKey of (1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is WOBNYPYYJSLSSI-YFKPBYRVSA-N. The full InChI is InChI=1S/C11H8F4N2O2/c1-5(18)10-16-9(17-19-10)6-2-7(11(13,14)15)4-8(12)3-6/h2-5,18H,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 276.19 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 67278867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).