2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane

C11H21FN2 — CID 177319583

IUPAC2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane
SMILESCCN1CCC2(CN(C)CC2(C)F)C1
InChIInChI=1S/C11H21FN2/c1-4-14-6-5-11(9-14)8-13(3)7-10(11,2)12/h4-9H2,1-3H3
InChIKeyIXSOSNCMURHKKX-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.37
Rot. Bonds1

About 2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane

2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane (PubChem CID 177319583) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane
PubChem CID177319583
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane
SMILESCCN1CCC2(CN(C)CC2(C)F)C1
InChIInChI=1S/C11H21FN2/c1-4-14-6-5-11(9-14)8-13(3)7-10(11,2)12/h4-9H2,1-3H3
InChIKeyIXSOSNCMURHKKX-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane (CID 177319583) is 2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane is CCN1CCC2(CN(C)CC2(C)F)C1.
What is the InChIKey of 2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is IXSOSNCMURHKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-4-14-6-5-11(9-14)8-13(3)7-10(11,2)12/h4-9H2,1-3H3.
What are the key properties of 2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane?
2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane has a molecular weight of 200.30 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 177319583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).