6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane

C9H16F2N2O — CID 171415616

IUPAC6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC(C)N1CC(F)(F)OC2(CNC2)C1
InChIInChI=1S/C9H16F2N2O/c1-7(2)13-5-8(3-12-4-8)14-9(10,11)6-13/h7,12H,3-6H2,1-2H3
InChIKeyPFQDAKDLTBDWHU-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.66
Rot. Bonds1

About 6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane

6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane (PubChem CID 171415616) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane
PubChem CID171415616
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC(C)N1CC(F)(F)OC2(CNC2)C1
InChIInChI=1S/C9H16F2N2O/c1-7(2)13-5-8(3-12-4-8)14-9(10,11)6-13/h7,12H,3-6H2,1-2H3
InChIKeyPFQDAKDLTBDWHU-UHFFFAOYSA-N
XLogP0.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane (CID 171415616) is 6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane is CC(C)N1CC(F)(F)OC2(CNC2)C1.
What is the InChIKey of 6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane?
The InChIKey is PFQDAKDLTBDWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-7(2)13-5-8(3-12-4-8)14-9(10,11)6-13/h7,12H,3-6H2,1-2H3.
What are the key properties of 6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane?
6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane has a molecular weight of 206.24 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 171415616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).