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

C14H14F4N2O2 — CID 146469103

IUPAC1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
SMILESOC(Cc1nnco1)c1cc(CCCC(F)(F)F)ccc1F
InChIInChI=1S/C14H14F4N2O2/c15-11-4-3-9(2-1-5-14(16,17)18)6-10(11)12(21)7-13-20-19-8-22-13/h3-4,6,8,12,21H,1-2,5,7H2
InChIKeyRFBHKRWKDPPGHX-UHFFFAOYSA-N
MW318.27 g/mol
LogP3.37
Rot. Bonds6

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

1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol (PubChem CID 146469103) has the molecular formula C14H14F4N2O2 and a molecular weight of 318.27 g/mol. Its IUPAC name is 1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
PubChem CID146469103
Molecular FormulaC14H14F4N2O2
Molecular Weight318.27 g/mol
Exact Mass318.10
IUPAC Name1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
SMILESOC(Cc1nnco1)c1cc(CCCC(F)(F)F)ccc1F
InChIInChI=1S/C14H14F4N2O2/c15-11-4-3-9(2-1-5-14(16,17)18)6-10(11)12(21)7-13-20-19-8-22-13/h3-4,6,8,12,21H,1-2,5,7H2
InChIKeyRFBHKRWKDPPGHX-UHFFFAOYSA-N
XLogP3.37
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[2-Fluoro-5-(5,5,5-trifluoropentyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
CID 146469096
1-[3-(4-Fluorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469100
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-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
The IUPAC name of 1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol (CID 146469103) is 1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol.
What is the SMILES notation for 1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
The canonical SMILES for 1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol is OC(Cc1nnco1)c1cc(CCCC(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
The InChIKey is RFBHKRWKDPPGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O2/c15-11-4-3-9(2-1-5-14(16,17)18)6-10(11)12(21)7-13-20-19-8-22-13/h3-4,6,8,12,21H,1-2,5,7H2.
What are the key properties of 1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol has a molecular weight of 318.27 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(4,4,4-trifluorobutyl)phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol is sourced from PubChem (CID 146469103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).