7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one

C10H6F4O — CID 66803651

IUPAC7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(C(F)(F)F)c(F)c21
InChIInChI=1S/C10H6F4O/c11-9-6(10(12,13)14)3-1-5-2-4-7(15)8(5)9/h1,3H,2,4H2
InChIKeyARURVFUHWKSHSB-UHFFFAOYSA-N
MW218.15 g/mol
LogP2.97
Rot. Bonds

About 7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one

7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one (PubChem CID 66803651) has the molecular formula C10H6F4O and a molecular weight of 218.15 g/mol. Its IUPAC name is 7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one
PubChem CID66803651
Molecular FormulaC10H6F4O
Molecular Weight218.15 g/mol
Exact Mass218.04
IUPAC Name7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(C(F)(F)F)c(F)c21
InChIInChI=1S/C10H6F4O/c11-9-6(10(12,13)14)3-1-5-2-4-7(15)8(5)9/h1,3H,2,4H2
InChIKeyARURVFUHWKSHSB-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one (CID 66803651) is 7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one is O=C1CCc2ccc(C(F)(F)F)c(F)c21.
What is the InChIKey of 7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one?
The InChIKey is ARURVFUHWKSHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4O/c11-9-6(10(12,13)14)3-1-5-2-4-7(15)8(5)9/h1,3H,2,4H2.
What are the key properties of 7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one?
7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one has a molecular weight of 218.15 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 66803651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).