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

C8H13F2N3O2 — CID 107485569

IUPAC2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESCc1nnc(CN(CCO)CC(F)F)o1
InChIInChI=1S/C8H13F2N3O2/c1-6-11-12-8(15-6)5-13(2-3-14)4-7(9)10/h7,14H,2-5H2,1H3
InChIKeyUNFCOOIDPJAPQY-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.44
Rot. Bonds6

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

2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (PubChem CID 107485569) has the molecular formula C8H13F2N3O2 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
PubChem CID107485569
Molecular FormulaC8H13F2N3O2
Molecular Weight221.21 g/mol
Exact Mass221.10
IUPAC Name2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESCc1nnc(CN(CCO)CC(F)F)o1
InChIInChI=1S/C8H13F2N3O2/c1-6-11-12-8(15-6)5-13(2-3-14)4-7(9)10/h7,14H,2-5H2,1H3
InChIKeyUNFCOOIDPJAPQY-UHFFFAOYSA-N
XLogP0.44
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.44
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-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (CID 107485569) is 2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is Cc1nnc(CN(CCO)CC(F)F)o1.
What is the InChIKey of 2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The InChIKey is UNFCOOIDPJAPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O2/c1-6-11-12-8(15-6)5-13(2-3-14)4-7(9)10/h7,14H,2-5H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol has a molecular weight of 221.21 g/mol, XLogP of 0.44, 6 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-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 107485569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).