2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one

C14H22F3NO — CID 126750251

IUPAC2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C14H22F3NO/c1-12(2,3)11(19)18-8-5-10(14(15,16)17)13(9-18)6-4-7-13/h10H,4-9H2,1-3H3
InChIKeyPQVLIOCCSDQAAR-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.61
Rot. Bonds

About 2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one

2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one (PubChem CID 126750251) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one
PubChem CID126750251
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C14H22F3NO/c1-12(2,3)11(19)18-8-5-10(14(15,16)17)13(9-18)6-4-7-13/h10H,4-9H2,1-3H3
InChIKeyPQVLIOCCSDQAAR-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one (CID 126750251) is 2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(C(F)(F)F)C2(CCC2)C1.
What is the InChIKey of 2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one?
The InChIKey is PQVLIOCCSDQAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c1-12(2,3)11(19)18-8-5-10(14(15,16)17)13(9-18)6-4-7-13/h10H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one?
2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one has a molecular weight of 277.33 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propan-1-one is sourced from PubChem (CID 126750251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).