6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one

C13H15FO — CID 91102035

IUPAC6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one
SMILESCC(C)C1(C)C(=O)Cc2cc(F)ccc21
InChIInChI=1S/C13H15FO/c1-8(2)13(3)11-5-4-10(14)6-9(11)7-12(13)15/h4-6,8H,7H2,1-3H3
InChIKeyAPYDDLDMYFCMCU-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.86
Rot. Bonds1

About 6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one

6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one (PubChem CID 91102035) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one.

Molecular Properties

Compound Name6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one
PubChem CID91102035
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one
SMILESCC(C)C1(C)C(=O)Cc2cc(F)ccc21
InChIInChI=1S/C13H15FO/c1-8(2)13(3)11-5-4-10(14)6-9(11)7-12(13)15/h4-6,8H,7H2,1-3H3
InChIKeyAPYDDLDMYFCMCU-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one?
The IUPAC name of 6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one (CID 91102035) is 6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one.
What is the SMILES notation for 6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one?
The canonical SMILES for 6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one is CC(C)C1(C)C(=O)Cc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one?
The InChIKey is APYDDLDMYFCMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-8(2)13(3)11-5-4-10(14)6-9(11)7-12(13)15/h4-6,8H,7H2,1-3H3.
What are the key properties of 6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one?
6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one has a molecular weight of 206.26 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-3-propan-2-yl-1H-inden-2-one is sourced from PubChem (CID 91102035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).