2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole

C12H10F4N2O — CID 170757845

IUPAC2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(F)(F)c2ccc(F)c(F)c2)o1
InChIInChI=1S/C12H10F4N2O/c1-6(2)10-17-18-11(19-10)12(15,16)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3
InChIKeyZPTFYGLDXNEQHK-UHFFFAOYSA-N
MW274.22 g/mol
LogP3.61
Rot. Bonds3

About 2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole

2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 170757845) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID170757845
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(F)(F)c2ccc(F)c(F)c2)o1
InChIInChI=1S/C12H10F4N2O/c1-6(2)10-17-18-11(19-10)12(15,16)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3
InChIKeyZPTFYGLDXNEQHK-UHFFFAOYSA-N
XLogP3.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 170757845) is 2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(C(F)(F)c2ccc(F)c(F)c2)o1.
What is the InChIKey of 2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is ZPTFYGLDXNEQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-6(2)10-17-18-11(19-10)12(15,16)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3.
What are the key properties of 2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 274.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)-difluoromethyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 170757845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).