1-(trifluoromethoxy)naphthalene-2-carbonyl chloride

C12H6ClF3O2 — CID 166641127

IUPAC1-(trifluoromethoxy)naphthalene-2-carbonyl chloride
SMILESO=C(Cl)c1ccc2ccccc2c1OC(F)(F)F
InChIInChI=1S/C12H6ClF3O2/c13-11(17)9-6-5-7-3-1-2-4-8(7)10(9)18-12(14,15)16/h1-6H
InChIKeyHICMUYRFYVSFTN-UHFFFAOYSA-N
MW274.63 g/mol
LogP4.12
Rot. Bonds2

About 1-(trifluoromethoxy)naphthalene-2-carbonyl chloride

1-(trifluoromethoxy)naphthalene-2-carbonyl chloride (PubChem CID 166641127) has the molecular formula C12H6ClF3O2 and a molecular weight of 274.63 g/mol. Its IUPAC name is 1-(trifluoromethoxy)naphthalene-2-carbonyl chloride.

Molecular Properties

Compound Name1-(trifluoromethoxy)naphthalene-2-carbonyl chloride
PubChem CID166641127
Molecular FormulaC12H6ClF3O2
Molecular Weight274.63 g/mol
Exact Mass274.00
IUPAC Name1-(trifluoromethoxy)naphthalene-2-carbonyl chloride
SMILESO=C(Cl)c1ccc2ccccc2c1OC(F)(F)F
InChIInChI=1S/C12H6ClF3O2/c13-11(17)9-6-5-7-3-1-2-4-8(7)10(9)18-12(14,15)16/h1-6H
InChIKeyHICMUYRFYVSFTN-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

anthracene-1,4-dicarbonyl chloride
CID 21424527
2-methoxy-1-(trifluoromethoxy)naphthalene
CID 149345741
1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid
CID 62034235
4-(hydroxymethyl)naphthalene-1-carbonyl chloride
CID 118835402
5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride
CID 151998329
4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
CID 134639001
2-(trifluoromethoxy)naphthalen-1-olate
CID 22090504
2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone
CID 91636167
1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
CID 43388554
1-[4-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 171001252
4-amino-2-bromo-3-(trifluoromethoxy)benzoic acid
CID 118834468
1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
CID 613064

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)naphthalene-2-carbonyl chloride?
The IUPAC name of 1-(trifluoromethoxy)naphthalene-2-carbonyl chloride (CID 166641127) is 1-(trifluoromethoxy)naphthalene-2-carbonyl chloride.
What is the SMILES notation for 1-(trifluoromethoxy)naphthalene-2-carbonyl chloride?
The canonical SMILES for 1-(trifluoromethoxy)naphthalene-2-carbonyl chloride is O=C(Cl)c1ccc2ccccc2c1OC(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)naphthalene-2-carbonyl chloride?
The InChIKey is HICMUYRFYVSFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3O2/c13-11(17)9-6-5-7-3-1-2-4-8(7)10(9)18-12(14,15)16/h1-6H.
What are the key properties of 1-(trifluoromethoxy)naphthalene-2-carbonyl chloride?
1-(trifluoromethoxy)naphthalene-2-carbonyl chloride has a molecular weight of 274.63 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)naphthalene-2-carbonyl chloride is sourced from PubChem (CID 166641127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).