5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine

C8H11F2N3O — CID 131107593

IUPAC5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(F)(F)CNc1nnc(C2CC2)o1
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)4-11-7-13-12-6(14-7)5-2-3-5/h5H,2-4H2,1H3,(H,11,13)
InChIKeyCRRKEYHQVQMCAZ-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.01
Rot. Bonds4

About 5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 131107593) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine
PubChem CID131107593
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(F)(F)CNc1nnc(C2CC2)o1
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)4-11-7-13-12-6(14-7)5-2-3-5/h5H,2-4H2,1H3,(H,11,13)
InChIKeyCRRKEYHQVQMCAZ-UHFFFAOYSA-N
XLogP2.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine (CID 131107593) is 5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine is CC(F)(F)CNc1nnc(C2CC2)o1.
What is the InChIKey of 5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CRRKEYHQVQMCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-8(9,10)4-11-7-13-12-6(14-7)5-2-3-5/h5H,2-4H2,1H3,(H,11,13).
What are the key properties of 5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 203.19 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 131107593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).