2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone

C13H9ClF2O2 — CID 146007256

IUPAC2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone
SMILESCOc1ccc2ccccc2c1C(=O)C(F)(F)Cl
InChIInChI=1S/C13H9ClF2O2/c1-18-10-7-6-8-4-2-3-5-9(8)11(10)12(17)13(14,15)16/h2-7H,1H3
InChIKeyILVZLGPOEJPBLQ-UHFFFAOYSA-N
MW270.66 g/mol
LogP3.86
Rot. Bonds3

About 2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone

2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone (PubChem CID 146007256) has the molecular formula C13H9ClF2O2 and a molecular weight of 270.66 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone
PubChem CID146007256
Molecular FormulaC13H9ClF2O2
Molecular Weight270.66 g/mol
Exact Mass270.03
IUPAC Name2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone
SMILESCOc1ccc2ccccc2c1C(=O)C(F)(F)Cl
InChIInChI=1S/C13H9ClF2O2/c1-18-10-7-6-8-4-2-3-5-9(8)11(10)12(17)13(14,15)16/h2-7H,1H3
InChIKeyILVZLGPOEJPBLQ-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.66
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone 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

2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 146007268
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235
4-chloro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 82051001
2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone
CID 91636167
[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
CID 6347163
2-methoxy-1-(trifluoromethoxy)naphthalene
CID 149345741
1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one
CID 146007288
methyl (E)-4-(2-methoxynaphthalen-1-yl)-4-oxobut-2-enoate
CID 82550402
trideuteriomethyl (E)-3-chloro-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 134835064
5-bromo-1-(2-methoxynaphthalen-1-yl)pentan-1-one
CID 146007275
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 91678600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone?
The IUPAC name of 2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone (CID 146007256) is 2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone.
What is the SMILES notation for 2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone?
The canonical SMILES for 2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone is COc1ccc2ccccc2c1C(=O)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone?
The InChIKey is ILVZLGPOEJPBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2O2/c1-18-10-7-6-8-4-2-3-5-9(8)11(10)12(17)13(14,15)16/h2-7H,1H3.
What are the key properties of 2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone?
2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone has a molecular weight of 270.66 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone is sourced from PubChem (CID 146007256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).