[3-(trifluoromethyl)-1H-inden-1-yl] acetate

C12H9F3O2 — CID 10610167

IUPAC[3-(trifluoromethyl)-1H-inden-1-yl] acetate
SMILESCC(=O)OC1C=C(C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H9F3O2/c1-7(16)17-11-6-10(12(13,14)15)8-4-2-3-5-9(8)11/h2-6,11H,1H3
InChIKeyVVTIQADDSWOZGW-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.25
Rot. Bonds1

About [3-(trifluoromethyl)-1H-inden-1-yl] acetate

[3-(trifluoromethyl)-1H-inden-1-yl] acetate (PubChem CID 10610167) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1H-inden-1-yl] acetate.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1H-inden-1-yl] acetate
PubChem CID10610167
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name[3-(trifluoromethyl)-1H-inden-1-yl] acetate
SMILESCC(=O)OC1C=C(C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H9F3O2/c1-7(16)17-11-6-10(12(13,14)15)8-4-2-3-5-9(8)11/h2-6,11H,1H3
InChIKeyVVTIQADDSWOZGW-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate
CID 11961495
[2-(2,2-dimethylpropanoyl)-3-oxo-1H-isoindol-1-yl] acetate
CID 102270417
(3-octoxy-1H-phenalen-1-yl) acetate
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[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
CID 102118384
[(3S,4S)-1-oxo-3-phenyl-3,4-dihydroisochromen-4-yl] acetate
CID 57331974
(3,8-dioxo-1,2,2a,8a-tetrahydrocyclobuta[b]naphthalen-2-yl) acetate
CID 15140830
2-(9H-fluoren-9-yl)ethyl acetate
CID 134437630
biphenylene;propan-2-one
CID 174440223
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
(4-acetyloxycyclohexyl) 4-(trifluoromethyl)benzoate
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[2-[2-acetyloxy-6-(trifluoromethyl)phenyl]phenyl] acetate
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cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1H-inden-1-yl] acetate?
The IUPAC name of [3-(trifluoromethyl)-1H-inden-1-yl] acetate (CID 10610167) is [3-(trifluoromethyl)-1H-inden-1-yl] acetate.
What is the SMILES notation for [3-(trifluoromethyl)-1H-inden-1-yl] acetate?
The canonical SMILES for [3-(trifluoromethyl)-1H-inden-1-yl] acetate is CC(=O)OC1C=C(C(F)(F)F)c2ccccc21.
What is the InChIKey of [3-(trifluoromethyl)-1H-inden-1-yl] acetate?
The InChIKey is VVTIQADDSWOZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2/c1-7(16)17-11-6-10(12(13,14)15)8-4-2-3-5-9(8)11/h2-6,11H,1H3.
What are the key properties of [3-(trifluoromethyl)-1H-inden-1-yl] acetate?
[3-(trifluoromethyl)-1H-inden-1-yl] acetate has a molecular weight of 242.20 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1H-inden-1-yl] acetate is sourced from PubChem (CID 10610167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).