6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one

C13H15FO — CID 79838020

IUPAC6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one
SMILESCc1cc2c(c(C)c1F)C(=O)CC2(C)C
InChIInChI=1S/C13H15FO/c1-7-5-9-11(8(2)12(7)14)10(15)6-13(9,3)4/h5H,6H2,1-4H3
InChIKeyZEDNTDICUBRMLM-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.31
Rot. Bonds

About 6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one

6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one (PubChem CID 79838020) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one.

Molecular Properties

Compound Name6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one
PubChem CID79838020
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one
SMILESCc1cc2c(c(C)c1F)C(=O)CC2(C)C
InChIInChI=1S/C13H15FO/c1-7-5-9-11(8(2)12(7)14)10(15)6-13(9,3)4/h5H,6H2,1-4H3
InChIKeyZEDNTDICUBRMLM-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one?
The IUPAC name of 6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one (CID 79838020) is 6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one.
What is the SMILES notation for 6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one?
The canonical SMILES for 6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one is Cc1cc2c(c(C)c1F)C(=O)CC2(C)C.
What is the InChIKey of 6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one?
The InChIKey is ZEDNTDICUBRMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-7-5-9-11(8(2)12(7)14)10(15)6-13(9,3)4/h5H,6H2,1-4H3.
What are the key properties of 6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one?
6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one has a molecular weight of 206.26 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,3,5,7-tetramethyl-2H-inden-1-one is sourced from PubChem (CID 79838020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).