5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one

C11H11FO — CID 55297472

IUPAC5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc2c(c1F)CCCC2=O
InChIInChI=1S/C11H11FO/c1-7-5-6-8-9(11(7)12)3-2-4-10(8)13/h5-6H,2-4H2,1H3
InChIKeyGDMUANYCDKJQDX-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.65
Rot. Bonds

About 5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one

5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 55297472) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID55297472
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc2c(c1F)CCCC2=O
InChIInChI=1S/C11H11FO/c1-7-5-6-8-9(11(7)12)3-2-4-10(8)13/h5-6H,2-4H2,1H3
InChIKeyGDMUANYCDKJQDX-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 55297472) is 5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one is Cc1ccc2c(c1F)CCCC2=O.
What is the InChIKey of 5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is GDMUANYCDKJQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO/c1-7-5-6-8-9(11(7)12)3-2-4-10(8)13/h5-6H,2-4H2,1H3.
What are the key properties of 5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 178.21 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 55297472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).