2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane

C9H16F2N2 — CID 175631153

IUPAC2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane
SMILESCCN1CC2(CCNCC2(F)F)C1
InChIInChI=1S/C9H16F2N2/c1-2-13-6-8(7-13)3-4-12-5-9(8,10)11/h12H,2-7H2,1H3
InChIKeyXMQILNSKUTWBJU-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.94
Rot. Bonds1

About 2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane

2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane (PubChem CID 175631153) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane
PubChem CID175631153
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane
SMILESCCN1CC2(CCNCC2(F)F)C1
InChIInChI=1S/C9H16F2N2/c1-2-13-6-8(7-13)3-4-12-5-9(8,10)11/h12H,2-7H2,1H3
InChIKeyXMQILNSKUTWBJU-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane (CID 175631153) is 2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane is CCN1CC2(CCNCC2(F)F)C1.
What is the InChIKey of 2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane?
The InChIKey is XMQILNSKUTWBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-2-13-6-8(7-13)3-4-12-5-9(8,10)11/h12H,2-7H2,1H3.
What are the key properties of 2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane?
2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane has a molecular weight of 190.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 175631153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).