4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H22F2N2O2 — CID 64885525

IUPAC4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCCC1C(=O)NC2(CCCCC2)C(=O)N1CC(F)F
InChIInChI=1S/C14H22F2N2O2/c1-2-6-10-12(19)17-14(7-4-3-5-8-14)13(20)18(10)9-11(15)16/h10-11H,2-9H2,1H3,(H,17,19)
InChIKeyXIDFOGUTBFVCQX-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.08
Rot. Bonds4

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

4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64885525) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64885525
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCCC1C(=O)NC2(CCCCC2)C(=O)N1CC(F)F
InChIInChI=1S/C14H22F2N2O2/c1-2-6-10-12(19)17-14(7-4-3-5-8-14)13(20)18(10)9-11(15)16/h10-11H,2-9H2,1H3,(H,17,19)
InChIKeyXIDFOGUTBFVCQX-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64885525) is 4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CCCC1C(=O)NC2(CCCCC2)C(=O)N1CC(F)F.
What is the InChIKey of 4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is XIDFOGUTBFVCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c1-2-6-10-12(19)17-14(7-4-3-5-8-14)13(20)18(10)9-11(15)16/h10-11H,2-9H2,1H3,(H,17,19).
What are the key properties of 4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 288.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64885525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).