2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane

C11H21FN2 — CID 166496596

IUPAC2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane
SMILESCCN1CCC2(CN(CC)C2)C(F)C1
InChIInChI=1S/C11H21FN2/c1-3-13-6-5-11(10(12)7-13)8-14(4-2)9-11/h10H,3-9H2,1-2H3
InChIKeyYLXXIZSMDWZSIL-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.37
Rot. Bonds2

About 2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane

2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane (PubChem CID 166496596) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane
PubChem CID166496596
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane
SMILESCCN1CCC2(CN(CC)C2)C(F)C1
InChIInChI=1S/C11H21FN2/c1-3-13-6-5-11(10(12)7-13)8-14(4-2)9-11/h10H,3-9H2,1-2H3
InChIKeyYLXXIZSMDWZSIL-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane (CID 166496596) is 2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane is CCN1CCC2(CN(CC)C2)C(F)C1.
What is the InChIKey of 2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane?
The InChIKey is YLXXIZSMDWZSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-3-13-6-5-11(10(12)7-13)8-14(4-2)9-11/h10H,3-9H2,1-2H3.
What are the key properties of 2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane?
2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane has a molecular weight of 200.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 166496596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).