5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole

C13H16F4N2O — CID 146136280

IUPAC5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole
SMILESCC1(Cc2noc(C3CCC(F)(F)CC3)n2)CC1(F)F
InChIInChI=1S/C13H16F4N2O/c1-11(7-13(11,16)17)6-9-18-10(20-19-9)8-2-4-12(14,15)5-3-8/h8H,2-7H2,1H3
InChIKeyUQYNWEWKCPSZGK-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.95
Rot. Bonds3

About 5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole

5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole (PubChem CID 146136280) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole
PubChem CID146136280
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole
SMILESCC1(Cc2noc(C3CCC(F)(F)CC3)n2)CC1(F)F
InChIInChI=1S/C13H16F4N2O/c1-11(7-13(11,16)17)6-9-18-10(20-19-9)8-2-4-12(14,15)5-3-8/h8H,2-7H2,1H3
InChIKeyUQYNWEWKCPSZGK-UHFFFAOYSA-N
XLogP3.95
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole (CID 146136280) is 5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole is CC1(Cc2noc(C3CCC(F)(F)CC3)n2)CC1(F)F.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole?
The InChIKey is UQYNWEWKCPSZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-11(7-13(11,16)17)6-9-18-10(20-19-9)8-2-4-12(14,15)5-3-8/h8H,2-7H2,1H3.
What are the key properties of 5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole?
5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole has a molecular weight of 292.28 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-3-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146136280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).