2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane

C10H18F2N2O — CID 177186915

IUPAC2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCCN1CCOC2(C1)CN(CC(F)F)C2
InChIInChI=1S/C10H18F2N2O/c1-2-13-3-4-15-10(6-13)7-14(8-10)5-9(11)12/h9H,2-8H2,1H3
InChIKeyIJOZLPQCHLNRAW-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.66
Rot. Bonds3

About 2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane

2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane (PubChem CID 177186915) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane
PubChem CID177186915
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCCN1CCOC2(C1)CN(CC(F)F)C2
InChIInChI=1S/C10H18F2N2O/c1-2-13-3-4-15-10(6-13)7-14(8-10)5-9(11)12/h9H,2-8H2,1H3
InChIKeyIJOZLPQCHLNRAW-UHFFFAOYSA-N
XLogP0.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane (CID 177186915) is 2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane is CCN1CCOC2(C1)CN(CC(F)F)C2.
What is the InChIKey of 2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The InChIKey is IJOZLPQCHLNRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-2-13-3-4-15-10(6-13)7-14(8-10)5-9(11)12/h9H,2-8H2,1H3.
What are the key properties of 2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane?
2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane has a molecular weight of 220.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-8-ethyl-5-oxa-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 177186915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).