2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

C17H11F5N2O2 — CID 10595311

IUPAC2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C(F)(F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H11F5N2O2/c18-16(19,13(25)10-6-8-12(9-7-10)17(20,21)22)15-23-14(24-26-15)11-4-2-1-3-5-11/h1-9,13,25H
InChIKeyIWWHXLJGVUNLSW-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.58
Rot. Bonds4

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

2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 10595311) has the molecular formula C17H11F5N2O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID10595311
Molecular FormulaC17H11F5N2O2
Molecular Weight370.28 g/mol
Exact Mass370.07
IUPAC Name2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C(F)(F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H11F5N2O2/c18-16(19,13(25)10-6-8-12(9-7-10)17(20,21)22)15-23-14(24-26-15)11-4-2-1-3-5-11/h1-9,13,25H
InChIKeyIWWHXLJGVUNLSW-UHFFFAOYSA-N
XLogP4.58
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 10595311) is 2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(c1ccc(C(F)(F)F)cc1)C(F)(F)c1nc(-c2ccccc2)no1.
What is the InChIKey of 2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is IWWHXLJGVUNLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O2/c18-16(19,13(25)10-6-8-12(9-7-10)17(20,21)22)15-23-14(24-26-15)11-4-2-1-3-5-11/h1-9,13,25H.
What are the key properties of 2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 370.28 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 10595311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).