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

C13H12F4N2O3 — CID 146469143

IUPAC1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCc1nnc(CC(O)c2cc(OCC(F)(F)F)ccc2F)o1
InChIInChI=1S/C13H12F4N2O3/c1-7-18-19-12(22-7)5-11(20)9-4-8(2-3-10(9)14)21-6-13(15,16)17/h2-4,11,20H,5-6H2,1H3
InChIKeyVEHNPOVFEDOWAP-UHFFFAOYSA-N
MW320.24 g/mol
LogP2.73
Rot. Bonds5

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

1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (PubChem CID 146469143) has the molecular formula C13H12F4N2O3 and a molecular weight of 320.24 g/mol. Its IUPAC name is 1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
PubChem CID146469143
Molecular FormulaC13H12F4N2O3
Molecular Weight320.24 g/mol
Exact Mass320.08
IUPAC Name1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCc1nnc(CC(O)c2cc(OCC(F)(F)F)ccc2F)o1
InChIInChI=1S/C13H12F4N2O3/c1-7-18-19-12(22-7)5-11(20)9-4-8(2-3-10(9)14)21-6-13(15,16)17/h2-4,11,20H,5-6H2,1H3
InChIKeyVEHNPOVFEDOWAP-UHFFFAOYSA-N
XLogP2.73
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469152
(1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 175569814
1-[2-fluoro-5-(2,3,4-trifluorobutyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 175569810
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol
CID 146469141
(1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 107720562
(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 175152701
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 175359378
[1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469116
1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol
CID 83988743
(1S)-1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 78931134
1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 167965168
2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 110655535

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The IUPAC name of 1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (CID 146469143) is 1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.
What is the SMILES notation for 1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The canonical SMILES for 1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is Cc1nnc(CC(O)c2cc(OCC(F)(F)F)ccc2F)o1.
What is the InChIKey of 1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The InChIKey is VEHNPOVFEDOWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O3/c1-7-18-19-12(22-7)5-11(20)9-4-8(2-3-10(9)14)21-6-13(15,16)17/h2-4,11,20H,5-6H2,1H3.
What are the key properties of 1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol has a molecular weight of 320.24 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is sourced from PubChem (CID 146469143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).