2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone

C13H16F3NO — CID 71670558

IUPAC2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone
SMILESO=C(C1=C(N2CCCC2)CC12CCC2)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11(18)10-9(17-6-1-2-7-17)8-12(10)4-3-5-12/h1-8H2
InChIKeyFSJPVASNUWYKHU-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.04
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone

2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone (PubChem CID 71670558) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone
PubChem CID71670558
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone
SMILESO=C(C1=C(N2CCCC2)CC12CCC2)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11(18)10-9(17-6-1-2-7-17)8-12(10)4-3-5-12/h1-8H2
InChIKeyFSJPVASNUWYKHU-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-2-(2,2,3,3,3-pentafluoropropan-oyl)-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one
CID 129754878
2-Fluoro-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 154691747
1-[2-(Dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone
CID 71670556
1-(4,4-Dimethyl-2-pyrrolidin-1-ylcyclobuten-1-yl)-2,2,2-trifluoroethanone
CID 71670557
2,2,2-Trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone
CID 71670559
1-[3-(2,2,2-Trifluoroacetyl)spiro[3.3]hept-2-en-2-yl]piperidin-4-one
CID 71670966
1-[2-(Diethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone
CID 101504698
2,5,5-Trimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 418376

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone (CID 71670558) is 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone is O=C(C1=C(N2CCCC2)CC12CCC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone?
The InChIKey is FSJPVASNUWYKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11(18)10-9(17-6-1-2-7-17)8-12(10)4-3-5-12/h1-8H2.
What are the key properties of 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone?
2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone has a molecular weight of 259.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.3]hept-2-en-3-yl)ethanone is sourced from PubChem (CID 71670558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).