6-(difluoromethyl)-2,3-dihydroinden-1-one

C10H8F2O — CID 55275022

IUPAC6-(difluoromethyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(C(F)F)cc21
InChIInChI=1S/C10H8F2O/c11-10(12)7-2-1-6-3-4-9(13)8(6)5-7/h1-2,5,10H,3-4H2
InChIKeyQETMRFWYGGOUGH-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.75
Rot. Bonds1

About 6-(difluoromethyl)-2,3-dihydroinden-1-one

6-(difluoromethyl)-2,3-dihydroinden-1-one (PubChem CID 55275022) has the molecular formula C10H8F2O and a molecular weight of 182.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-(difluoromethyl)-2,3-dihydroinden-1-one
PubChem CID55275022
Molecular FormulaC10H8F2O
Molecular Weight182.17 g/mol
Exact Mass182.05
IUPAC Name6-(difluoromethyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(C(F)F)cc21
InChIInChI=1S/C10H8F2O/c11-10(12)7-2-1-6-3-4-9(13)8(6)5-7/h1-2,5,10H,3-4H2
InChIKeyQETMRFWYGGOUGH-UHFFFAOYSA-N
XLogP2.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-(difluoromethyl)-2,3-dihydroinden-1-one (CID 55275022) is 6-(difluoromethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-(difluoromethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-(difluoromethyl)-2,3-dihydroinden-1-one is O=C1CCc2ccc(C(F)F)cc21.
What is the InChIKey of 6-(difluoromethyl)-2,3-dihydroinden-1-one?
The InChIKey is QETMRFWYGGOUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O/c11-10(12)7-2-1-6-3-4-9(13)8(6)5-7/h1-2,5,10H,3-4H2.
What are the key properties of 6-(difluoromethyl)-2,3-dihydroinden-1-one?
6-(difluoromethyl)-2,3-dihydroinden-1-one has a molecular weight of 182.17 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 55275022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).