N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine

C8H13F2N3O — CID 62137238

IUPACN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(C(F)F)o1
InChIInChI=1S/C8H13F2N3O/c1-8(2,3)11-4-5-12-13-7(14-5)6(9)10/h6,11H,4H2,1-3H3
InChIKeyKUTDDPCDPJWWRT-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.90
Rot. Bonds3

About N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62137238) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62137238
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC NameN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(C(F)F)o1
InChIInChI=1S/C8H13F2N3O/c1-8(2,3)11-4-5-12-13-7(14-5)6(9)10/h6,11H,4H2,1-3H3
InChIKeyKUTDDPCDPJWWRT-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62137238) is N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nnc(C(F)F)o1.
What is the InChIKey of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KUTDDPCDPJWWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-8(2,3)11-4-5-12-13-7(14-5)6(9)10/h6,11H,4H2,1-3H3.
What are the key properties of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 205.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62137238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).