2,2-bis(trifluoromethyl)-3H-inden-1-one

C11H6F6O — CID 10015841

IUPAC2,2-bis(trifluoromethyl)-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F6O/c12-10(13,14)9(11(15,16)17)5-6-3-1-2-4-7(6)8(9)18/h1-4H,5H2
InChIKeyPQGQVQJKMKHTCO-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.54
Rot. Bonds

About 2,2-bis(trifluoromethyl)-3H-inden-1-one

2,2-bis(trifluoromethyl)-3H-inden-1-one (PubChem CID 10015841) has the molecular formula C11H6F6O and a molecular weight of 268.16 g/mol. Its IUPAC name is 2,2-bis(trifluoromethyl)-3H-inden-1-one.

Molecular Properties

Compound Name2,2-bis(trifluoromethyl)-3H-inden-1-one
PubChem CID10015841
Molecular FormulaC11H6F6O
Molecular Weight268.16 g/mol
Exact Mass268.03
IUPAC Name2,2-bis(trifluoromethyl)-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F6O/c12-10(13,14)9(11(15,16)17)5-6-3-1-2-4-7(6)8(9)18/h1-4H,5H2
InChIKeyPQGQVQJKMKHTCO-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[difluoro(iodo)methyl]-2-methyl-3H-inden-1-one
CID 46831315
(3S)-3-phenyl-3-(trifluoromethyl)-4H-isochromen-1-one
CID 134845951
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one
CID 141404738
2-methyl-2-nitroso-3H-inden-1-one
CID 86209895
2-azido-2-fluoro-3H-inden-1-one
CID 176914009
(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
CID 134956870
spiro[3H-indene-2,4'-oxane]-1-one
CID 100741937
2,2-diethoxy-3H-inden-1-one
CID 11557601
(2S,2'R)-2'-(4-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473555
(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
tert-butyl (2S)-2-hydroxy-3-oxo-1H-indene-2-carboxylate
CID 15965724

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(trifluoromethyl)-3H-inden-1-one?
The IUPAC name of 2,2-bis(trifluoromethyl)-3H-inden-1-one (CID 10015841) is 2,2-bis(trifluoromethyl)-3H-inden-1-one.
What is the SMILES notation for 2,2-bis(trifluoromethyl)-3H-inden-1-one?
The canonical SMILES for 2,2-bis(trifluoromethyl)-3H-inden-1-one is O=C1c2ccccc2CC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2-bis(trifluoromethyl)-3H-inden-1-one?
The InChIKey is PQGQVQJKMKHTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6O/c12-10(13,14)9(11(15,16)17)5-6-3-1-2-4-7(6)8(9)18/h1-4H,5H2.
What are the key properties of 2,2-bis(trifluoromethyl)-3H-inden-1-one?
2,2-bis(trifluoromethyl)-3H-inden-1-one has a molecular weight of 268.16 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(trifluoromethyl)-3H-inden-1-one is sourced from PubChem (CID 10015841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).