2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride

C10H7Cl2F3O3 — CID 154248299

IUPAC2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride
SMILESCOc1ccc(C(=O)Cl)c(OC(F)(F)C(F)Cl)c1
InChIInChI=1S/C10H7Cl2F3O3/c1-17-5-2-3-6(8(11)16)7(4-5)18-10(14,15)9(12)13/h2-4,9H,1H3
InChIKeyHUEPVGWVFDBDQM-UHFFFAOYSA-N
MW303.06 g/mol
LogP3.58
Rot. Bonds5

About 2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride

2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride (PubChem CID 154248299) has the molecular formula C10H7Cl2F3O3 and a molecular weight of 303.06 g/mol. Its IUPAC name is 2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride.

Molecular Properties

Compound Name2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride
PubChem CID154248299
Molecular FormulaC10H7Cl2F3O3
Molecular Weight303.06 g/mol
Exact Mass301.97
IUPAC Name2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride
SMILESCOc1ccc(C(=O)Cl)c(OC(F)(F)C(F)Cl)c1
InChIInChI=1S/C10H7Cl2F3O3/c1-17-5-2-3-6(8(11)16)7(4-5)18-10(14,15)9(12)13/h2-4,9H,1H3
InChIKeyHUEPVGWVFDBDQM-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.06
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,4-bis(2-chloro-1,1,2-trifluoroethoxy)benzoyl chloride
CID 20530643
2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl chloride
CID 39260609
bis([(E)-1-[2,4-bis(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2-ethoxycarbonyl-3-hydroxybut-2-enylidene]oxidanium);copper
CID 54727832
2,4-bis(1,1,2,3,3,3-hexafluoropropoxy)benzoic acid
CID 162396628
1-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
CID 146006273
5-methoxy-2-methylperoxybenzoyl chloride
CID 141072137
[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 118801497
2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46423703
ethyl 5-(2-chloro-1,1,2-trifluoroethoxy)-2-methylbenzoate
CID 59543266
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
CID 170997841
2,4-bis(3,3,3-trifluoropropoxy)benzoyl chloride
CID 174777244
2,4-dimethoxybenzoic acid
CID 7052

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride?
The IUPAC name of 2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride (CID 154248299) is 2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride.
What is the SMILES notation for 2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride?
The canonical SMILES for 2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride is COc1ccc(C(=O)Cl)c(OC(F)(F)C(F)Cl)c1.
What is the InChIKey of 2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride?
The InChIKey is HUEPVGWVFDBDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3O3/c1-17-5-2-3-6(8(11)16)7(4-5)18-10(14,15)9(12)13/h2-4,9H,1H3.
What are the key properties of 2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride?
2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride has a molecular weight of 303.06 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride is sourced from PubChem (CID 154248299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).