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

C9H16F2N2O — CID 177186788

IUPAC2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCN1CCOC2(C1)CN(CC(F)F)C2
InChIInChI=1S/C9H16F2N2O/c1-12-2-3-14-9(5-12)6-13(7-9)4-8(10)11/h8H,2-7H2,1H3
InChIKeyGCUKHJYXZMGCRW-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.27
Rot. Bonds2

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

2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane (PubChem CID 177186788) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane
PubChem CID177186788
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCN1CCOC2(C1)CN(CC(F)F)C2
InChIInChI=1S/C9H16F2N2O/c1-12-2-3-14-9(5-12)6-13(7-9)4-8(10)11/h8H,2-7H2,1H3
InChIKeyGCUKHJYXZMGCRW-UHFFFAOYSA-N
XLogP0.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.27
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-methyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane (CID 177186788) is 2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane is CN1CCOC2(C1)CN(CC(F)F)C2.
What is the InChIKey of 2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The InChIKey is GCUKHJYXZMGCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-12-2-3-14-9(5-12)6-13(7-9)4-8(10)11/h8H,2-7H2,1H3.
What are the key properties of 2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane?
2-(2,2-difluoroethyl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane has a molecular weight of 206.24 g/mol, XLogP of 0.27, 2 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-methyl-5-oxa-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 177186788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).