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

C15H16F4N2O2 — CID 175569810

IUPAC1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCc1nnc(CC(O)c2cc(CC(F)C(F)CF)ccc2F)o1
InChIInChI=1S/C15H16F4N2O2/c1-8-20-21-15(23-8)6-14(22)10-4-9(2-3-11(10)17)5-12(18)13(19)7-16/h2-4,12-14,22H,5-7H2,1H3
InChIKeyBSEKTRWFJKUYOI-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.98
Rot. Bonds7

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

1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (PubChem CID 175569810) has the molecular formula C15H16F4N2O2 and a molecular weight of 332.30 g/mol. Its IUPAC name is 1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
PubChem CID175569810
Molecular FormulaC15H16F4N2O2
Molecular Weight332.30 g/mol
Exact Mass332.11
IUPAC Name1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCc1nnc(CC(O)c2cc(CC(F)C(F)CF)ccc2F)o1
InChIInChI=1S/C15H16F4N2O2/c1-8-20-21-15(23-8)6-14(22)10-4-9(2-3-11(10)17)5-12(18)13(19)7-16/h2-4,12-14,22H,5-7H2,1H3
InChIKeyBSEKTRWFJKUYOI-UHFFFAOYSA-N
XLogP2.98
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.98
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-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The IUPAC name of 1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (CID 175569810) is 1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.
What is the SMILES notation for 1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The canonical SMILES for 1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is Cc1nnc(CC(O)c2cc(CC(F)C(F)CF)ccc2F)o1.
What is the InChIKey of 1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The InChIKey is BSEKTRWFJKUYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2O2/c1-8-20-21-15(23-8)6-14(22)10-4-9(2-3-11(10)17)5-12(18)13(19)7-16/h2-4,12-14,22H,5-7H2,1H3.
What are the key properties of 1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol has a molecular weight of 332.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is sourced from PubChem (CID 175569810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).