3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H21F3N2O2 — CID 64885733

IUPAC3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1(C)C(=O)NC2(CCCCC2)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-12(2)10(20)18-13(6-4-3-5-7-13)11(21)19(12)9-8-14(15,16)17/h3-9H2,1-2H3,(H,18,20)
InChIKeyBPKIQUYYPJIRHA-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.38
Rot. Bonds2

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

3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64885733) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64885733
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1(C)C(=O)NC2(CCCCC2)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-12(2)10(20)18-13(6-4-3-5-7-13)11(21)19(12)9-8-14(15,16)17/h3-9H2,1-2H3,(H,18,20)
InChIKeyBPKIQUYYPJIRHA-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64885733) is 3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1(C)C(=O)NC2(CCCCC2)C(=O)N1CCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is BPKIQUYYPJIRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-12(2)10(20)18-13(6-4-3-5-7-13)11(21)19(12)9-8-14(15,16)17/h3-9H2,1-2H3,(H,18,20).
What are the key properties of 3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 306.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64885733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).