2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone

C18H15F3O — CID 11034039

IUPAC2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone
SMILESCc1ccc2c(c1)-c1c(C)ccc(C)c1C2C(=O)C(F)(F)F
InChIInChI=1S/C18H15F3O/c1-9-4-7-12-13(8-9)14-10(2)5-6-11(3)15(14)16(12)17(22)18(19,20)21/h4-8,16H,1-3H3
InChIKeyYJRGWHCZYSBACM-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.86
Rot. Bonds1

About 2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone

2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone (PubChem CID 11034039) has the molecular formula C18H15F3O and a molecular weight of 304.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone
PubChem CID11034039
Molecular FormulaC18H15F3O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone
SMILESCc1ccc2c(c1)-c1c(C)ccc(C)c1C2C(=O)C(F)(F)F
InChIInChI=1S/C18H15F3O/c1-9-4-7-12-13(8-9)14-10(2)5-6-11(3)15(14)16(12)17(22)18(19,20)21/h4-8,16H,1-3H3
InChIKeyYJRGWHCZYSBACM-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methanone, 9H-fluoren-2-ylphenyl-
CID 97070
2-Acetylfluorene
CID 69908
2-(4-Methylphenyl)-1H-indene-1,3(2H)-dione
CID 202148
1,1'-(9H-Fluorene-2,7-diyl)di(ethan-1-one)
CID 283001
2,3-Dihydro-2,6-dimethyl-1H-inden-1-one
CID 11593477
1,1,1-Trifluoro-6-(naphthalen-2-yl)hexan-2-one
CID 25060069
3,3-dimethyl-5-m-tolyl-2,3-dihydro-1H-inden-1-one
CID 45483822
4,7-Dimethyl-1-indanone
CID 220094
2-(2,4-Dimethylphenyl)indan-1,3-dione
CID 151469
Fluindarol
CID 65587
1H-Indene-1,3(2H)-dione, 2-(2,4,6-trimethylphenyl)-
CID 97221
5-Acetylindane
CID 138158

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone (CID 11034039) is 2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone is Cc1ccc2c(c1)-c1c(C)ccc(C)c1C2C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone?
The InChIKey is YJRGWHCZYSBACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O/c1-9-4-7-12-13(8-9)14-10(2)5-6-11(3)15(14)16(12)17(22)18(19,20)21/h4-8,16H,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone?
2,2,2-trifluoro-1-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone has a molecular weight of 304.31 g/mol, XLogP of 4.86, 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-(1,4,6-trimethyl-9H-fluoren-9-yl)ethanone is sourced from PubChem (CID 11034039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).