2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone

C14H18F3NO — CID 71670559

IUPAC2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone
SMILESO=C(C1=C(N2CCCC2)CC12CCCC2)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12(19)11-10(18-7-3-4-8-18)9-13(11)5-1-2-6-13/h1-9H2
InChIKeySBMZOSUFHXTNEU-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.43
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone

2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone (PubChem CID 71670559) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone
PubChem CID71670559
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone
SMILESO=C(C1=C(N2CCCC2)CC12CCCC2)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12(19)11-10(18-7-3-4-8-18)9-13(11)5-1-2-6-13/h1-9H2
InChIKeySBMZOSUFHXTNEU-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.43
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-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-5,5-di-methyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one
CID 129756110
2,2,2-Trifluoro-1-(2-pyrrolidin-1-ylcyclohexen-1-yl)ethanone
CID 11831750
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[3.3]hept-2-en-3-yl)ethanone
CID 71670558
1-[3-(2,2,2-Trifluoroacetyl)spiro[3.4]oct-2-en-2-yl]piperidin-4-one
CID 71670772
1-[2-(Diethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone
CID 101504698
2,2,2-Trifluoro-1-(7-pyrrolidin-1-yl-6-bicyclo[3.2.0]hept-6-enyl)ethanone
CID 101504699
2,2,2-Trifluoro-1-(8-pyrrolidin-1-yl-7-bicyclo[4.2.0]oct-7-enyl)ethanone
CID 101504700

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone (CID 71670559) is 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone is O=C(C1=C(N2CCCC2)CC12CCCC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone?
The InChIKey is SBMZOSUFHXTNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12(19)11-10(18-7-3-4-8-18)9-13(11)5-1-2-6-13/h1-9H2.
What are the key properties of 2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone?
2,2,2-trifluoro-1-(2-pyrrolidin-1-ylspiro[3.4]oct-2-en-3-yl)ethanone has a molecular weight of 273.30 g/mol, XLogP of 3.43, 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[3.4]oct-2-en-3-yl)ethanone is sourced from PubChem (CID 71670559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).