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

C14H13F3OS — CID 71670619

IUPAC2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone
SMILESO=C(C1=C(c2cccs2)CC12CCCC2)C(F)(F)F
InChIInChI=1S/C14H13F3OS/c15-14(16,17)12(18)11-9(10-4-3-7-19-10)8-13(11)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2
InChIKeyUAJGDSIAMYDVSL-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.60
Rot. Bonds2

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

2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone (PubChem CID 71670619) has the molecular formula C14H13F3OS and a molecular weight of 286.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone
PubChem CID71670619
Molecular FormulaC14H13F3OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC Name2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone
SMILESO=C(C1=C(c2cccs2)CC12CCCC2)C(F)(F)F
InChIInChI=1S/C14H13F3OS/c15-14(16,17)12(18)11-9(10-4-3-7-19-10)8-13(11)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2
InChIKeyUAJGDSIAMYDVSL-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone (CID 71670619) is 2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone is O=C(C1=C(c2cccs2)CC12CCCC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone?
The InChIKey is UAJGDSIAMYDVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3OS/c15-14(16,17)12(18)11-9(10-4-3-7-19-10)8-13(11)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone?
2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone has a molecular weight of 286.32 g/mol, XLogP of 4.60, 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-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone is sourced from PubChem (CID 71670619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).