1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one

C22H13F3O3 — CID 58046898

IUPAC1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C22H13F3O3/c23-22(24,25)28-14-6-3-5-13(11-14)12-19(26)18-10-4-9-16-15-7-1-2-8-17(15)21(27)20(16)18/h1-11H,12H2
InChIKeyRLPHVUILJGIYNQ-UHFFFAOYSA-N
MW382.34 g/mol
LogP5.22
Rot. Bonds4

About 1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one

1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one (PubChem CID 58046898) has the molecular formula C22H13F3O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one
PubChem CID58046898
Molecular FormulaC22H13F3O3
Molecular Weight382.34 g/mol
Exact Mass382.08
IUPAC Name1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C22H13F3O3/c23-22(24,25)28-14-6-3-5-13(11-14)12-19(26)18-10-4-9-16-15-7-1-2-8-17(15)21(27)20(16)18/h1-11H,12H2
InChIKeyRLPHVUILJGIYNQ-UHFFFAOYSA-N
XLogP5.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.34
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
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1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906
3-[3-(trifluoromethoxy)phenyl]propanoyl chloride
CID 22011082
9-oxofluorene-1-carboxylate
CID 6928439
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 99850234
benzyl 9-oxofluorene-4-carboxylate
CID 21241008
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
2-(4-chlorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 63411353

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one?
The IUPAC name of 1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one (CID 58046898) is 1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one.
What is the SMILES notation for 1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one?
The canonical SMILES for 1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one is O=C(Cc1cccc(OC(F)(F)F)c1)c1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one?
The InChIKey is RLPHVUILJGIYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3O3/c23-22(24,25)28-14-6-3-5-13(11-14)12-19(26)18-10-4-9-16-15-7-1-2-8-17(15)21(27)20(16)18/h1-11H,12H2.
What are the key properties of 1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one?
1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one has a molecular weight of 382.34 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one is sourced from PubChem (CID 58046898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).