5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine

C8H13F2N3O — CID 131038185

IUPAC5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)CNc1nnc(C(F)F)o1
InChIInChI=1S/C8H13F2N3O/c1-8(2,3)4-11-7-13-12-6(14-7)5(9)10/h5H,4H2,1-3H3,(H,11,13)
InChIKeyDNKZBBGPEFTWAJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.47
Rot. Bonds3

About 5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine

5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 131038185) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID131038185
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)CNc1nnc(C(F)F)o1
InChIInChI=1S/C8H13F2N3O/c1-8(2,3)4-11-7-13-12-6(14-7)5(9)10/h5H,4H2,1-3H3,(H,11,13)
InChIKeyDNKZBBGPEFTWAJ-UHFFFAOYSA-N
XLogP2.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine (CID 131038185) is 5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine is CC(C)(C)CNc1nnc(C(F)F)o1.
What is the InChIKey of 5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DNKZBBGPEFTWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-8(2,3)4-11-7-13-12-6(14-7)5(9)10/h5H,4H2,1-3H3,(H,11,13).
What are the key properties of 5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine?
5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 205.21 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 131038185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).