(1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol

C15H16F4N2O3 — CID 175569814

IUPAC(1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCc1nnc(C[C@@H](O)c2cc(OC(F)C(F)CCF)ccc2F)o1
InChIInChI=1S/C15H16F4N2O3/c1-8-20-21-14(23-8)7-13(22)10-6-9(2-3-11(10)17)24-15(19)12(18)4-5-16/h2-3,6,12-13,15,22H,4-5,7H2,1H3/t12?,13-,15?/m1/s1
InChIKeyWTUDXMQJIFHVDG-JVWICGRDSA-N
MW348.30 g/mol
LogP3.17
Rot. Bonds8

About (1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol

(1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (PubChem CID 175569814) has the molecular formula C15H16F4N2O3 and a molecular weight of 348.30 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
PubChem CID175569814
Molecular FormulaC15H16F4N2O3
Molecular Weight348.30 g/mol
Exact Mass348.11
IUPAC Name(1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCc1nnc(C[C@@H](O)c2cc(OC(F)C(F)CCF)ccc2F)o1
InChIInChI=1S/C15H16F4N2O3/c1-8-20-21-14(23-8)7-13(22)10-6-9(2-3-11(10)17)24-15(19)12(18)4-5-16/h2-3,6,12-13,15,22H,4-5,7H2,1H3/t12?,13-,15?/m1/s1
InChIKeyWTUDXMQJIFHVDG-JVWICGRDSA-N
XLogP3.17
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The IUPAC name of (1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (CID 175569814) is (1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is Cc1nnc(C[C@@H](O)c2cc(OC(F)C(F)CCF)ccc2F)o1.
What is the InChIKey of (1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The InChIKey is WTUDXMQJIFHVDG-JVWICGRDSA-N. The full InChI is InChI=1S/C15H16F4N2O3/c1-8-20-21-14(23-8)7-13(22)10-6-9(2-3-11(10)17)24-15(19)12(18)4-5-16/h2-3,6,12-13,15,22H,4-5,7H2,1H3/t12?,13-,15?/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
(1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol has a molecular weight of 348.30 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is sourced from PubChem (CID 175569814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).