2-(3-fluorophenyl)-2-methyl-3H-inden-1-one

C16H13FO — CID 138977554

IUPAC2-(3-fluorophenyl)-2-methyl-3H-inden-1-one
SMILESCC1(c2cccc(F)c2)Cc2ccccc2C1=O
InChIInChI=1S/C16H13FO/c1-16(12-6-4-7-13(17)9-12)10-11-5-2-3-8-14(11)15(16)18/h2-9H,10H2,1H3
InChIKeyAYGCQQPMTIBSCL-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.52
Rot. Bonds1

About 2-(3-fluorophenyl)-2-methyl-3H-inden-1-one

2-(3-fluorophenyl)-2-methyl-3H-inden-1-one (PubChem CID 138977554) has the molecular formula C16H13FO and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-methyl-3H-inden-1-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-methyl-3H-inden-1-one
PubChem CID138977554
Molecular FormulaC16H13FO
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name2-(3-fluorophenyl)-2-methyl-3H-inden-1-one
SMILESCC1(c2cccc(F)c2)Cc2ccccc2C1=O
InChIInChI=1S/C16H13FO/c1-16(12-6-4-7-13(17)9-12)10-11-5-2-3-8-14(11)15(16)18/h2-9H,10H2,1H3
InChIKeyAYGCQQPMTIBSCL-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-methyl-3H-inden-1-one?
The IUPAC name of 2-(3-fluorophenyl)-2-methyl-3H-inden-1-one (CID 138977554) is 2-(3-fluorophenyl)-2-methyl-3H-inden-1-one.
What is the SMILES notation for 2-(3-fluorophenyl)-2-methyl-3H-inden-1-one?
The canonical SMILES for 2-(3-fluorophenyl)-2-methyl-3H-inden-1-one is CC1(c2cccc(F)c2)Cc2ccccc2C1=O.
What is the InChIKey of 2-(3-fluorophenyl)-2-methyl-3H-inden-1-one?
The InChIKey is AYGCQQPMTIBSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO/c1-16(12-6-4-7-13(17)9-12)10-11-5-2-3-8-14(11)15(16)18/h2-9H,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-methyl-3H-inden-1-one?
2-(3-fluorophenyl)-2-methyl-3H-inden-1-one has a molecular weight of 240.28 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-methyl-3H-inden-1-one is sourced from PubChem (CID 138977554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).