1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone

C11H14F3NO — CID 71670556

IUPAC1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone
SMILESCN(C)C1=C(C(=O)C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C11H14F3NO/c1-15(2)7-6-10(4-3-5-10)8(7)9(16)11(12,13)14/h3-6H2,1-2H3
InChIKeyYCBPWLCLSKFLCU-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.51
Rot. Bonds2

About 1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone

1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone (PubChem CID 71670556) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone
PubChem CID71670556
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone
SMILESCN(C)C1=C(C(=O)C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C11H14F3NO/c1-15(2)7-6-10(4-3-5-10)8(7)9(16)11(12,13)14/h3-6H2,1-2H3
InChIKeyYCBPWLCLSKFLCU-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone (CID 71670556) is 1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone is CN(C)C1=C(C(=O)C(F)(F)F)C2(CCC2)C1.
What is the InChIKey of 1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is YCBPWLCLSKFLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-15(2)7-6-10(4-3-5-10)8(7)9(16)11(12,13)14/h3-6H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone?
1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 233.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 71670556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).