3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H23FN2O2 — CID 81113728

IUPAC3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1NC(=O)C2(CCCCC2)N(CCCF)C1=O
InChIInChI=1S/C14H23FN2O2/c1-2-11-12(18)17(10-6-9-15)14(13(19)16-11)7-4-3-5-8-14/h11H,2-10H2,1H3,(H,16,19)
InChIKeyKZYGKLDQSKFMMH-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.79
Rot. Bonds4

About 3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 81113728) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID81113728
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1NC(=O)C2(CCCCC2)N(CCCF)C1=O
InChIInChI=1S/C14H23FN2O2/c1-2-11-12(18)17(10-6-9-15)14(13(19)16-11)7-4-3-5-8-14/h11H,2-10H2,1H3,(H,16,19)
InChIKeyKZYGKLDQSKFMMH-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 81113728) is 3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CCC1NC(=O)C2(CCCCC2)N(CCCF)C1=O.
What is the InChIKey of 3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is KZYGKLDQSKFMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-2-11-12(18)17(10-6-9-15)14(13(19)16-11)7-4-3-5-8-14/h11H,2-10H2,1H3,(H,16,19).
What are the key properties of 3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 270.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-fluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 81113728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).