2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole

C10H14F2N2O — CID 153456384

IUPAC2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
SMILESCC1CCC(c2nnc(C(F)F)o2)CC1
InChIInChI=1S/C10H14F2N2O/c1-6-2-4-7(5-3-6)9-13-14-10(15-9)8(11)12/h6-8H,2-5H2,1H3
InChIKeyHVSDMTHWOAREJO-UHFFFAOYSA-N
MW216.23 g/mol
LogP3.30
Rot. Bonds2

About 2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole

2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole (PubChem CID 153456384) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
PubChem CID153456384
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
SMILESCC1CCC(c2nnc(C(F)F)o2)CC1
InChIInChI=1S/C10H14F2N2O/c1-6-2-4-7(5-3-6)9-13-14-10(15-9)8(11)12/h6-8H,2-5H2,1H3
InChIKeyHVSDMTHWOAREJO-UHFFFAOYSA-N
XLogP3.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole (CID 153456384) is 2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole is CC1CCC(c2nnc(C(F)F)o2)CC1.
What is the InChIKey of 2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole?
The InChIKey is HVSDMTHWOAREJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-6-2-4-7(5-3-6)9-13-14-10(15-9)8(11)12/h6-8H,2-5H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole has a molecular weight of 216.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole is sourced from PubChem (CID 153456384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).