2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol

C9H15F2N3O2 — CID 107485017

IUPAC2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESCCc1nnc(CN(CCO)CC(F)F)o1
InChIInChI=1S/C9H15F2N3O2/c1-2-8-12-13-9(16-8)6-14(3-4-15)5-7(10)11/h7,15H,2-6H2,1H3
InChIKeyFNOCBRUSOWVWFM-UHFFFAOYSA-N
MW235.23 g/mol
LogP0.69
Rot. Bonds7

About 2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol

2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (PubChem CID 107485017) has the molecular formula C9H15F2N3O2 and a molecular weight of 235.23 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
PubChem CID107485017
Molecular FormulaC9H15F2N3O2
Molecular Weight235.23 g/mol
Exact Mass235.11
IUPAC Name2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESCCc1nnc(CN(CCO)CC(F)F)o1
InChIInChI=1S/C9H15F2N3O2/c1-2-8-12-13-9(16-8)6-14(3-4-15)5-7(10)11/h7,15H,2-6H2,1H3
InChIKeyFNOCBRUSOWVWFM-UHFFFAOYSA-N
XLogP0.69
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (CID 107485017) is 2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is CCc1nnc(CN(CCO)CC(F)F)o1.
What is the InChIKey of 2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The InChIKey is FNOCBRUSOWVWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O2/c1-2-8-12-13-9(16-8)6-14(3-4-15)5-7(10)11/h7,15H,2-6H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol has a molecular weight of 235.23 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 107485017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).