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

C11H10ClFO — CID 139984537

IUPAC8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCC(=O)c2c(Cl)cc(F)cc21
InChIInChI=1S/C11H10ClFO/c1-6-2-3-10(14)11-8(6)4-7(13)5-9(11)12/h4-6H,2-3H2,1H3
InChIKeyIEQCLWJDFZKGNE-UHFFFAOYSA-N
MW212.65 g/mol
LogP3.56
Rot. Bonds

About 8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one

8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 139984537) has the molecular formula C11H10ClFO and a molecular weight of 212.65 g/mol. Its IUPAC name is 8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID139984537
Molecular FormulaC11H10ClFO
Molecular Weight212.65 g/mol
Exact Mass212.04
IUPAC Name8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCC(=O)c2c(Cl)cc(F)cc21
InChIInChI=1S/C11H10ClFO/c1-6-2-3-10(14)11-8(6)4-7(13)5-9(11)12/h4-6H,2-3H2,1H3
InChIKeyIEQCLWJDFZKGNE-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 139984537) is 8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one is CC1CCC(=O)c2c(Cl)cc(F)cc21.
What is the InChIKey of 8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is IEQCLWJDFZKGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO/c1-6-2-3-10(14)11-8(6)4-7(13)5-9(11)12/h4-6H,2-3H2,1H3.
What are the key properties of 8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one?
8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 212.65 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 139984537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).