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

C10H8F2O — CID 122371695

IUPAC2-(difluoromethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1C(F)F
InChIInChI=1S/C10H8F2O/c11-10(12)8-5-6-3-1-2-4-7(6)9(8)13/h1-4,8,10H,5H2
InChIKeySKPDESUJWFHBIU-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.31
Rot. Bonds1

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

2-(difluoromethyl)-2,3-dihydroinden-1-one (PubChem CID 122371695) has the molecular formula C10H8F2O and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(difluoromethyl)-2,3-dihydroinden-1-one
PubChem CID122371695
Molecular FormulaC10H8F2O
Molecular Weight182.17 g/mol
Exact Mass182.05
IUPAC Name2-(difluoromethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1C(F)F
InChIInChI=1S/C10H8F2O/c11-10(12)8-5-6-3-1-2-4-7(6)9(8)13/h1-4,8,10H,5H2
InChIKeySKPDESUJWFHBIU-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-fluorobutyl)-2,3-dihydroinden-1-one
CID 137380205
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320
(2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one
CID 102033544
(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
CID 910021
2-(2-fluoroethyl)-2,3-dihydroinden-1-one
CID 80695760
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502
3-oxo-1,2-dihydroindene-2-sulfinate
CID 175105803
(4aS,9aR)-9a,10-dihydro-4aH-anthracen-9-one
CID 7057091
(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one
CID 129365333
2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one
CID 123722832
2-(3H-inden-1-yl)-2,3-dihydroinden-1-one
CID 44721009

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(difluoromethyl)-2,3-dihydroinden-1-one (CID 122371695) is 2-(difluoromethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(difluoromethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(difluoromethyl)-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-2,3-dihydroinden-1-one?
The InChIKey is SKPDESUJWFHBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O/c11-10(12)8-5-6-3-1-2-4-7(6)9(8)13/h1-4,8,10H,5H2.
What are the key properties of 2-(difluoromethyl)-2,3-dihydroinden-1-one?
2-(difluoromethyl)-2,3-dihydroinden-1-one has a molecular weight of 182.17 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 122371695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).