8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C14H21F3N2O2 — CID 64874377

IUPAC8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCC1NC(=O)C2(CCCC2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C14H21F3N2O2/c1-2-5-10-11(20)19(9-8-14(15,16)17)13(12(21)18-10)6-3-4-7-13/h10H,2-9H2,1H3,(H,18,21)
InChIKeyMWINRMBTGVTPFH-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.38
Rot. Bonds4

About 8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64874377) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64874377
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCC1NC(=O)C2(CCCC2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C14H21F3N2O2/c1-2-5-10-11(20)19(9-8-14(15,16)17)13(12(21)18-10)6-3-4-7-13/h10H,2-9H2,1H3,(H,18,21)
InChIKeyMWINRMBTGVTPFH-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64874377) is 8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CCCC1NC(=O)C2(CCCC2)N(CCC(F)(F)F)C1=O.
What is the InChIKey of 8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is MWINRMBTGVTPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-2-5-10-11(20)19(9-8-14(15,16)17)13(12(21)18-10)6-3-4-7-13/h10H,2-9H2,1H3,(H,18,21).
What are the key properties of 8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 306.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64874377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).