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

C18H14F4N2O2 — CID 146469152

IUPAC1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCc1nnc(CC(O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2F)o1
InChIInChI=1S/C18H14F4N2O2/c1-10-23-24-17(26-10)9-16(25)14-8-12(4-7-15(14)19)11-2-5-13(6-3-11)18(20,21)22/h2-8,16,25H,9H2,1H3
InChIKeyPUCICUYQKUAICC-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.48
Rot. Bonds4

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

1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (PubChem CID 146469152) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is 1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
PubChem CID146469152
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCc1nnc(CC(O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2F)o1
InChIInChI=1S/C18H14F4N2O2/c1-10-23-24-17(26-10)9-16(25)14-8-12(4-7-15(14)19)11-2-5-13(6-3-11)18(20,21)22/h2-8,16,25H,9H2,1H3
InChIKeyPUCICUYQKUAICC-UHFFFAOYSA-N
XLogP4.48
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The IUPAC name of 1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (CID 146469152) is 1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.
What is the SMILES notation for 1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The canonical SMILES for 1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is Cc1nnc(CC(O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2F)o1.
What is the InChIKey of 1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The InChIKey is PUCICUYQKUAICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c1-10-23-24-17(26-10)9-16(25)14-8-12(4-7-15(14)19)11-2-5-13(6-3-11)18(20,21)22/h2-8,16,25H,9H2,1H3.
What are the key properties of 1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol has a molecular weight of 366.31 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is sourced from PubChem (CID 146469152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).