7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one

C12H13FO — CID 68574570

IUPAC7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1cc(F)c2c(c1)C(=O)CCC2
InChIInChI=1S/C12H13FO/c1-2-8-6-10-9(11(13)7-8)4-3-5-12(10)14/h6-7H,2-5H2,1H3
InChIKeyNAEXNBJRZGXWOQ-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.91
Rot. Bonds1

About 7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one

7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 68574570) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
PubChem CID68574570
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1cc(F)c2c(c1)C(=O)CCC2
InChIInChI=1S/C12H13FO/c1-2-8-6-10-9(11(13)7-8)4-3-5-12(10)14/h6-7H,2-5H2,1H3
InChIKeyNAEXNBJRZGXWOQ-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
CID 69203001
5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one
CID 171787843
N-(3-fluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)ethanesulfonamide
CID 11265721
5-ethyl-3,4-dihydro-2H-naphthalen-1-one
CID 589817
5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 55297472
6-ethyl-2,4-dimethylisoindole-1,3-dione
CID 170003008
4-ethyl-2,6-difluorobenzaldehyde
CID 88881021
8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 130038645
7,9-difluoro-3,4-dihydro-1H-2-benzothiepin-5-one
CID 82887733
5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 11355962
1-(4-ethyl-2,6-difluorophenyl)-1,3-diazetidine
CID 139566322
2-cyclopropyl-5-ethyl-1,3-difluorobenzene
CID 171097226

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one (CID 68574570) is 7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one is CCc1cc(F)c2c(c1)C(=O)CCC2.
What is the InChIKey of 7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is NAEXNBJRZGXWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-2-8-6-10-9(11(13)7-8)4-3-5-12(10)14/h6-7H,2-5H2,1H3.
What are the key properties of 7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 192.23 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-fluoro-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 68574570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).