4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one

C11H6F6O — CID 121235774

IUPAC4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cc(C(F)(F)F)cc2C(F)(F)F
InChIInChI=1S/C11H6F6O/c12-10(13,14)5-3-7-6(1-2-9(7)18)8(4-5)11(15,16)17/h3-4H,1-2H2
InChIKeyHSBGMMDCWCHQIQ-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.85
Rot. Bonds

About 4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one

4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one (PubChem CID 121235774) has the molecular formula C11H6F6O and a molecular weight of 268.16 g/mol. Its IUPAC name is 4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one
PubChem CID121235774
Molecular FormulaC11H6F6O
Molecular Weight268.16 g/mol
Exact Mass268.03
IUPAC Name4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cc(C(F)(F)F)cc2C(F)(F)F
InChIInChI=1S/C11H6F6O/c12-10(13,14)5-3-7-6(1-2-9(7)18)8(4-5)11(15,16)17/h3-4H,1-2H2
InChIKeyHSBGMMDCWCHQIQ-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 82213230
4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one
CID 53404079
4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione
CID 150469709
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
1-(trifluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 169495028
4-butyl-5-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 57311955
6-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dihydronaphthalene-1,4-dione
CID 118136303
1-[3,5-bis(trifluoromethyl)phenyl]-2-nitro-3,5-bis(trifluoromethyl)benzene
CID 4077912
4-bromo-5-(trifluoromethyl)-2,3-dihydroinden-1-one;trifluoromethanesulfonic acid
CID 160607038
4,6,12,14-tetrakis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 129162492
bis[2-methyl-3,5-bis(trifluoromethyl)phenyl]methanone
CID 139698506
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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one (CID 121235774) is 4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one is O=C1CCc2c1cc(C(F)(F)F)cc2C(F)(F)F.
What is the InChIKey of 4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one?
The InChIKey is HSBGMMDCWCHQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6O/c12-10(13,14)5-3-7-6(1-2-9(7)18)8(4-5)11(15,16)17/h3-4H,1-2H2.
What are the key properties of 4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one?
4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one has a molecular weight of 268.16 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 121235774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).