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

C11H10ClFO — CID 139984587

IUPAC8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCc2c(F)ccc(Cl)c2C1=O
InChIInChI=1S/C11H10ClFO/c1-6-2-3-7-9(13)5-4-8(12)10(7)11(6)14/h4-6H,2-3H2,1H3
InChIKeyYGHHYRARTVWZPZ-UHFFFAOYSA-N
MW212.65 g/mol
LogP3.24
Rot. Bonds

About 8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one

8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 139984587) has the molecular formula C11H10ClFO and a molecular weight of 212.65 g/mol. Its IUPAC name is 8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID139984587
Molecular FormulaC11H10ClFO
Molecular Weight212.65 g/mol
Exact Mass212.04
IUPAC Name8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCc2c(F)ccc(Cl)c2C1=O
InChIInChI=1S/C11H10ClFO/c1-6-2-3-7-9(13)5-4-8(12)10(7)11(6)14/h4-6H,2-3H2,1H3
InChIKeyYGHHYRARTVWZPZ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130612015
(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 55275436
(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione
CID 6977247
8-chloro-5-fluoro-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 114517223
methyl 8-chloro-5-fluoro-1-oxo-3,4-dihydroisochromene-3-carboxylate
CID 114517260
5-chloro-7,8-difluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 107477698
N-acetyl-N-(4,7-difluoro-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide
CID 22449504
8-chloro-5-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 104546581
(2Z,6S)-2-[(3-chloro-4-fluoroanilino)methylidene]-6-methylcyclohexan-1-one
CID 126185774
6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 139984515
7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol
CID 163979066
6,7-dichloro-2-methyl-2,3-dihydroinden-1-one
CID 22173116

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 139984587) is 8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one is CC1CCc2c(F)ccc(Cl)c2C1=O.
What is the InChIKey of 8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is YGHHYRARTVWZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO/c1-6-2-3-7-9(13)5-4-8(12)10(7)11(6)14/h4-6H,2-3H2,1H3.
What are the key properties of 8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 212.65 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 139984587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).