2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane

C10H19FN2 — CID 131107520

IUPAC2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCN1CCC2(CCN(CCF)C2)C1
InChIInChI=1S/C10H19FN2/c1-12-5-2-10(8-12)3-6-13(9-10)7-4-11/h2-9H2,1H3
InChIKeyDEEWSSZQYBDWRR-UHFFFAOYSA-N
MW186.27 g/mol
LogP0.98
Rot. Bonds2

About 2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane

2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane (PubChem CID 131107520) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane
PubChem CID131107520
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCN1CCC2(CCN(CCF)C2)C1
InChIInChI=1S/C10H19FN2/c1-12-5-2-10(8-12)3-6-13(9-10)7-4-11/h2-9H2,1H3
InChIKeyDEEWSSZQYBDWRR-UHFFFAOYSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane (CID 131107520) is 2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane is CN1CCC2(CCN(CCF)C2)C1.
What is the InChIKey of 2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is DEEWSSZQYBDWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-12-5-2-10(8-12)3-6-13(9-10)7-4-11/h2-9H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane has a molecular weight of 186.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 131107520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).