1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

C7H11F2N3O — CID 62163227

IUPAC1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(C(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-3-10-4(2)6-11-12-7(13-6)5(8)9/h4-5,10H,3H2,1-2H3
InChIKeyYUUCPPGPMNEHDK-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.68
Rot. Bonds4

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

1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (PubChem CID 62163227) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
PubChem CID62163227
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Name1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(C(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-3-10-4(2)6-11-12-7(13-6)5(8)9/h4-5,10H,3H2,1-2H3
InChIKeyYUUCPPGPMNEHDK-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (CID 62163227) is 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is CCNC(C)c1nnc(C(F)F)o1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The InChIKey is YUUCPPGPMNEHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-3-10-4(2)6-11-12-7(13-6)5(8)9/h4-5,10H,3H2,1-2H3.
What are the key properties of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine has a molecular weight of 191.18 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 62163227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).