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

C15H16F4N2O2 — CID 146469096

IUPAC1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
SMILESOC(Cc1nnco1)c1cc(CCCCC(F)(F)F)ccc1F
InChIInChI=1S/C15H16F4N2O2/c16-12-5-4-10(3-1-2-6-15(17,18)19)7-11(12)13(22)8-14-21-20-9-23-14/h4-5,7,9,13,22H,1-3,6,8H2
InChIKeyVGGSLVCOMAMNAD-UHFFFAOYSA-N
MW332.30 g/mol
LogP3.76
Rot. Bonds7

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

1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol (PubChem CID 146469096) has the molecular formula C15H16F4N2O2 and a molecular weight of 332.30 g/mol. Its IUPAC name is 1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
PubChem CID146469096
Molecular FormulaC15H16F4N2O2
Molecular Weight332.30 g/mol
Exact Mass332.11
IUPAC Name1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
SMILESOC(Cc1nnco1)c1cc(CCCCC(F)(F)F)ccc1F
InChIInChI=1S/C15H16F4N2O2/c16-12-5-4-10(3-1-2-6-15(17,18)19)7-11(12)13(22)8-14-21-20-9-23-14/h4-5,7,9,13,22H,1-3,6,8H2
InChIKeyVGGSLVCOMAMNAD-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-Fluorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469100
1-[2-Fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
CID 146469103
2-(1,3,4-Oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 146469110
1-[3-[2,4-Bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469113
(1R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 146469117
2-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 146469119
1-[2-Fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
CID 146469120
2-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 146469121
1-[2-Fluoro-5-(3,3,3-trifluoropropyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469123
1-(2-Fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469129
1-(2-Fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469132
(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 146469136

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
The IUPAC name of 1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol (CID 146469096) is 1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol.
What is the SMILES notation for 1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
The canonical SMILES for 1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol is OC(Cc1nnco1)c1cc(CCCCC(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
The InChIKey is VGGSLVCOMAMNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2O2/c16-12-5-4-10(3-1-2-6-15(17,18)19)7-11(12)13(22)8-14-21-20-9-23-14/h4-5,7,9,13,22H,1-3,6,8H2.
What are the key properties of 1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
1-[2-fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol has a molecular weight of 332.30 g/mol, XLogP of 3.76, 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-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol is sourced from PubChem (CID 146469096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).