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

C14H14F4N2O3 — CID 146469141

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol
SMILESCc1nnc(CC(O)c2cccc(OCC(F)(F)C(F)F)c2)o1
InChIInChI=1S/C14H14F4N2O3/c1-8-19-20-12(23-8)6-11(21)9-3-2-4-10(5-9)22-7-14(17,18)13(15)16/h2-5,11,13,21H,6-7H2,1H3
InChIKeyMYBPYPWJCHGCEB-UHFFFAOYSA-N
MW334.27 g/mol
LogP2.93
Rot. Bonds7

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

2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol (PubChem CID 146469141) has the molecular formula C14H14F4N2O3 and a molecular weight of 334.27 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol
PubChem CID146469141
Molecular FormulaC14H14F4N2O3
Molecular Weight334.27 g/mol
Exact Mass334.09
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol
SMILESCc1nnc(CC(O)c2cccc(OCC(F)(F)C(F)F)c2)o1
InChIInChI=1S/C14H14F4N2O3/c1-8-19-20-12(23-8)6-11(21)9-3-2-4-10(5-9)22-7-14(17,18)13(15)16/h2-5,11,13,21H,6-7H2,1H3
InChIKeyMYBPYPWJCHGCEB-UHFFFAOYSA-N
XLogP2.93
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469143
(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
2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
CID 101481286
N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60887619
[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate
CID 146469131
1-(bromomethyl)-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 86068630
[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 29004952
[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
CID 129160857
3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol
CID 69097533
[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(4,4,4-trifluorobutoxy)phenyl]propyl] carbamate
CID 146469098
1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474140

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol (CID 146469141) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol is Cc1nnc(CC(O)c2cccc(OCC(F)(F)C(F)F)c2)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol?
The InChIKey is MYBPYPWJCHGCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O3/c1-8-19-20-12(23-8)6-11(21)9-3-2-4-10(5-9)22-7-14(17,18)13(15)16/h2-5,11,13,21H,6-7H2,1H3.
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol?
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol has a molecular weight of 334.27 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol is sourced from PubChem (CID 146469141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).