(3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole

C8H12F2N2O — CID 162543910

IUPAC(3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole
SMILESC[C@H]1N=C(C2CC(F)(F)C2)ON1C
InChIInChI=1S/C8H12F2N2O/c1-5-11-7(13-12(5)2)6-3-8(9,10)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyBMGGTWMBADQQAE-YFKPBYRVSA-N
MW190.19 g/mol
LogP1.65
Rot. Bonds1

About (3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole

(3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole (PubChem CID 162543910) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is (3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole.

Molecular Properties

Compound Name(3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole
PubChem CID162543910
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name(3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole
SMILESC[C@H]1N=C(C2CC(F)(F)C2)ON1C
InChIInChI=1S/C8H12F2N2O/c1-5-11-7(13-12(5)2)6-3-8(9,10)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyBMGGTWMBADQQAE-YFKPBYRVSA-N
XLogP1.65
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole?
The IUPAC name of (3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole (CID 162543910) is (3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole.
What is the SMILES notation for (3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole?
The canonical SMILES for (3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole is C[C@H]1N=C(C2CC(F)(F)C2)ON1C.
What is the InChIKey of (3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole?
The InChIKey is BMGGTWMBADQQAE-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5-11-7(13-12(5)2)6-3-8(9,10)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole?
(3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole has a molecular weight of 190.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(3,3-difluorocyclobutyl)-2,3-dimethyl-3H-1,2,4-oxadiazole is sourced from PubChem (CID 162543910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).