1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone

C13H11FO — CID 142518749

IUPAC1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone
SMILESCC(=O)c1c(C)ccc2ccc(F)cc12
InChIInChI=1S/C13H11FO/c1-8-3-4-10-5-6-11(14)7-12(10)13(8)9(2)15/h3-7H,1-2H3
InChIKeyWGRKOGHKYRJXQQ-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.49
Rot. Bonds1

About 1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone

1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone (PubChem CID 142518749) has the molecular formula C13H11FO and a molecular weight of 202.23 g/mol. Its IUPAC name is 1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone
PubChem CID142518749
Molecular FormulaC13H11FO
Molecular Weight202.23 g/mol
Exact Mass202.08
IUPAC Name1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone
SMILESCC(=O)c1c(C)ccc2ccc(F)cc12
InChIInChI=1S/C13H11FO/c1-8-3-4-10-5-6-11(14)7-12(10)13(8)9(2)15/h3-7H,1-2H3
InChIKeyWGRKOGHKYRJXQQ-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-3,6-dimethylphenyl)ethanone
CID 84765074
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
3-[4-(3-ethyl-2,6-dimethylphenyl)phenyl]-7-fluoro-2-methylnaphthalene-1-carboxylic acid
CID 58623624
1-tert-butyl-7-fluoro-2-methylnaphthalene
CID 164922162
2-bromo-1-(2-methylnaphthalen-1-yl)ethanone;1-(2-methylnaphthalen-1-yl)ethanone;molecular bromine
CID 162190058
7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid
CID 59326734
1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone
CID 82268767
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845
4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid
CID 81431051
1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
3-acetyl-2-fluoro-4-methylbenzaldehyde
CID 171010106
2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one
CID 131035867

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone?
The IUPAC name of 1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone (CID 142518749) is 1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone is CC(=O)c1c(C)ccc2ccc(F)cc12.
What is the InChIKey of 1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone?
The InChIKey is WGRKOGHKYRJXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO/c1-8-3-4-10-5-6-11(14)7-12(10)13(8)9(2)15/h3-7H,1-2H3.
What are the key properties of 1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone?
1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone has a molecular weight of 202.23 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone is sourced from PubChem (CID 142518749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).