N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine

C7H11F2N3O — CID 130831245

IUPACN-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NC(C)CC(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-4(3-6(8)9)10-7-12-11-5(2)13-7/h4,6H,3H2,1-2H3,(H,10,12)
InChIKeyJFSXKEMJLXHOPX-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.83
Rot. Bonds4

About N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine

N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 130831245) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID130831245
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC NameN-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NC(C)CC(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-4(3-6(8)9)10-7-12-11-5(2)13-7/h4,6H,3H2,1-2H3,(H,10,12)
InChIKeyJFSXKEMJLXHOPX-UHFFFAOYSA-N
XLogP1.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine (CID 130831245) is N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NC(C)CC(F)F)o1.
What is the InChIKey of N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is JFSXKEMJLXHOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-4(3-6(8)9)10-7-12-11-5(2)13-7/h4,6H,3H2,1-2H3,(H,10,12).
What are the key properties of N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine?
N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 191.18 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 130831245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).