4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one

C11H11FO — CID 79729480

IUPAC4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one
SMILESCC1C(=O)c2cccc(F)c2C1C
InChIInChI=1S/C11H11FO/c1-6-7(2)11(13)8-4-3-5-9(12)10(6)8/h3-7H,1-2H3
InChIKeyTZCRXDOWIQPGOP-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.76
Rot. Bonds

About 4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one

4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one (PubChem CID 79729480) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is 4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one
PubChem CID79729480
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one
SMILESCC1C(=O)c2cccc(F)c2C1C
InChIInChI=1S/C11H11FO/c1-6-7(2)11(13)8-4-3-5-9(12)10(6)8/h3-7H,1-2H3
InChIKeyTZCRXDOWIQPGOP-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one (CID 79729480) is 4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one is CC1C(=O)c2cccc(F)c2C1C.
What is the InChIKey of 4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one?
The InChIKey is TZCRXDOWIQPGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO/c1-6-7(2)11(13)8-4-3-5-9(12)10(6)8/h3-7H,1-2H3.
What are the key properties of 4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one?
4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one has a molecular weight of 178.21 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 79729480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).