1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol

C17H14F2N2O2 — CID 171986887

IUPAC1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol
SMILESCc1noc(CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)n1
InChIInChI=1S/C17H14F2N2O2/c1-11-20-16(23-21-11)10-17(22,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,22H,10H2,1H3
InChIKeyXMSPCCRPLPIESQ-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.13
Rot. Bonds4

About 1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol

1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 171986887) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol
PubChem CID171986887
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol
SMILESCc1noc(CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)n1
InChIInChI=1S/C17H14F2N2O2/c1-11-20-16(23-21-11)10-17(22,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,22H,10H2,1H3
InChIKeyXMSPCCRPLPIESQ-UHFFFAOYSA-N
XLogP3.13
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of 1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol (CID 171986887) is 1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol is Cc1noc(CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)n1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is XMSPCCRPLPIESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-11-20-16(23-21-11)10-17(22,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,22H,10H2,1H3.
What are the key properties of 1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol?
1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 316.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 171986887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).