2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone

C18H15F3O — CID 22572400

IUPAC2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone
SMILESO=C(c1cc2ccc1CCc1ccc(cc1)CC2)C(F)(F)F
InChIInChI=1S/C18H15F3O/c19-18(20,21)17(22)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
InChIKeyFECLYHWXBBXFLP-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.32
Rot. Bonds1

About 2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone

2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone (PubChem CID 22572400) has the molecular formula C18H15F3O and a molecular weight of 304.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone
PubChem CID22572400
Molecular FormulaC18H15F3O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone
SMILESO=C(c1cc2ccc1CCc1ccc(cc1)CC2)C(F)(F)F
InChIInChI=1S/C18H15F3O/c19-18(20,21)17(22)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
InChIKeyFECLYHWXBBXFLP-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone (CID 22572400) is 2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone is O=C(c1cc2ccc1CCc1ccc(cc1)CC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone?
The InChIKey is FECLYHWXBBXFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O/c19-18(20,21)17(22)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2.
What are the key properties of 2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone?
2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone has a molecular weight of 304.31 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone is sourced from PubChem (CID 22572400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).