5-(trifluoromethoxy)inden-2-one

C10H5F3O2 — CID 90487951

IUPAC5-(trifluoromethoxy)inden-2-one
SMILESO=C1C=c2ccc(OC(F)(F)F)cc2=C1
InChIInChI=1S/C10H5F3O2/c11-10(12,13)15-9-2-1-6-3-8(14)4-7(6)5-9/h1-5H
InChIKeyCCHNSQUKILXKJH-UHFFFAOYSA-N
MW214.14 g/mol
LogP0.73
Rot. Bonds1

About 5-(trifluoromethoxy)inden-2-one

5-(trifluoromethoxy)inden-2-one (PubChem CID 90487951) has the molecular formula C10H5F3O2 and a molecular weight of 214.14 g/mol. Its IUPAC name is 5-(trifluoromethoxy)inden-2-one.

Molecular Properties

Compound Name5-(trifluoromethoxy)inden-2-one
PubChem CID90487951
Molecular FormulaC10H5F3O2
Molecular Weight214.14 g/mol
Exact Mass214.02
IUPAC Name5-(trifluoromethoxy)inden-2-one
SMILESO=C1C=c2ccc(OC(F)(F)F)cc2=C1
InChIInChI=1S/C10H5F3O2/c11-10(12,13)15-9-2-1-6-3-8(14)4-7(6)5-9/h1-5H
InChIKeyCCHNSQUKILXKJH-UHFFFAOYSA-N
XLogP0.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-4-(trifluoromethoxy)phenyl]azanium
CID 146757846
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
tris[4-(trifluoromethoxy)phenyl] phosphate
CID 169101115
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
2-carboxy-4-(trifluoromethoxy)phenolate
CID 54711457
5-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 22119026
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
2-(trifluoromethoxy)triphenylene
CID 154001040
2-dimethylphosphoryl-5-(trifluoromethoxy)aniline
CID 167150983
1-[2-amino-5-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanone
CID 98460898
2-fluoro-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 118847370

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)inden-2-one?
The IUPAC name of 5-(trifluoromethoxy)inden-2-one (CID 90487951) is 5-(trifluoromethoxy)inden-2-one.
What is the SMILES notation for 5-(trifluoromethoxy)inden-2-one?
The canonical SMILES for 5-(trifluoromethoxy)inden-2-one is O=C1C=c2ccc(OC(F)(F)F)cc2=C1.
What is the InChIKey of 5-(trifluoromethoxy)inden-2-one?
The InChIKey is CCHNSQUKILXKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3O2/c11-10(12,13)15-9-2-1-6-3-8(14)4-7(6)5-9/h1-5H.
What are the key properties of 5-(trifluoromethoxy)inden-2-one?
5-(trifluoromethoxy)inden-2-one has a molecular weight of 214.14 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)inden-2-one is sourced from PubChem (CID 90487951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).