9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one

C10H15F3N2O — CID 64757957

IUPAC9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one
SMILESO=C1NCCNC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)7-1-3-9(4-2-7)8(16)14-5-6-15-9/h7,15H,1-6H2,(H,14,16)
InChIKeyBJFIIIXAGJWFDB-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.20
Rot. Bonds

About 9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one

9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 64757957) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID64757957
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one
SMILESO=C1NCCNC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)7-1-3-9(4-2-7)8(16)14-5-6-15-9/h7,15H,1-6H2,(H,14,16)
InChIKeyBJFIIIXAGJWFDB-UHFFFAOYSA-N
XLogP1.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one (CID 64757957) is 9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one is O=C1NCCNC12CCC(C(F)(F)F)CC2.
What is the InChIKey of 9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is BJFIIIXAGJWFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)7-1-3-9(4-2-7)8(16)14-5-6-15-9/h7,15H,1-6H2,(H,14,16).
What are the key properties of 9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one?
9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 236.24 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 64757957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).