2-chloro-2-naphthalen-1-ylacetyl chloride;methane

C13H12Cl2O — CID 174783201

IUPAC2-chloro-2-naphthalen-1-ylacetyl chloride;methane
SMILESC.O=C(Cl)C(Cl)c1cccc2ccccc12
InChIInChI=1S/C12H8Cl2O.CH4/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,11H;1H4
InChIKeyJPCXACVAOPNDSM-UHFFFAOYSA-N
MW255.14 g/mol
LogP4.52
Rot. Bonds2

About 2-chloro-2-naphthalen-1-ylacetyl chloride;methane

2-chloro-2-naphthalen-1-ylacetyl chloride;methane (PubChem CID 174783201) has the molecular formula C13H12Cl2O and a molecular weight of 255.14 g/mol. Its IUPAC name is 2-chloro-2-naphthalen-1-ylacetyl chloride;methane.

Molecular Properties

Compound Name2-chloro-2-naphthalen-1-ylacetyl chloride;methane
PubChem CID174783201
Molecular FormulaC13H12Cl2O
Molecular Weight255.14 g/mol
Exact Mass254.03
IUPAC Name2-chloro-2-naphthalen-1-ylacetyl chloride;methane
SMILESC.O=C(Cl)C(Cl)c1cccc2ccccc12
InChIInChI=1S/C12H8Cl2O.CH4/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,11H;1H4
InChIKeyJPCXACVAOPNDSM-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-naphthalen-1-yl-N-propylacetamide
CID 62224763
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
2-chloro-2-(2-iodophenyl)acetyl chloride
CID 150251257
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-naphthalen-1-ylhexanoyl chloride
CID 131880950
(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one
CID 54562084
3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride
CID 10737457
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide
CID 118415065
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-naphthalen-1-ylacetyl chloride;methane?
The IUPAC name of 2-chloro-2-naphthalen-1-ylacetyl chloride;methane (CID 174783201) is 2-chloro-2-naphthalen-1-ylacetyl chloride;methane.
What is the SMILES notation for 2-chloro-2-naphthalen-1-ylacetyl chloride;methane?
The canonical SMILES for 2-chloro-2-naphthalen-1-ylacetyl chloride;methane is C.O=C(Cl)C(Cl)c1cccc2ccccc12.
What is the InChIKey of 2-chloro-2-naphthalen-1-ylacetyl chloride;methane?
The InChIKey is JPCXACVAOPNDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O.CH4/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,11H;1H4.
What are the key properties of 2-chloro-2-naphthalen-1-ylacetyl chloride;methane?
2-chloro-2-naphthalen-1-ylacetyl chloride;methane has a molecular weight of 255.14 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-naphthalen-1-ylacetyl chloride;methane is sourced from PubChem (CID 174783201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).