5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride

C10H9ClF3NO2 — CID 134630024

IUPAC5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride
SMILESCN(C)c1ccc(OC(F)(F)F)c(C(=O)Cl)c1
InChIInChI=1S/C10H9ClF3NO2/c1-15(2)6-3-4-8(17-10(12,13)14)7(5-6)9(11)16/h3-5H,1-2H3
InChIKeyCPYPNMQEFNJYEC-UHFFFAOYSA-N
MW267.63 g/mol
LogP3.03
Rot. Bonds3

About 5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride

5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride (PubChem CID 134630024) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride.

Molecular Properties

Compound Name5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride
PubChem CID134630024
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride
SMILESCN(C)c1ccc(OC(F)(F)F)c(C(=O)Cl)c1
InChIInChI=1S/C10H9ClF3NO2/c1-15(2)6-3-4-8(17-10(12,13)14)7(5-6)9(11)16/h3-5H,1-2H3
InChIKeyCPYPNMQEFNJYEC-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
CID 134639001
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
CID 170997841
1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 131527772
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 130088891
3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide
CID 116628479
2-bromo-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619292
2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 79018019
2-bromo-1-[5-fluoro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018750
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-one
CID 118807482
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628590

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride?
The IUPAC name of 5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride (CID 134630024) is 5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride.
What is the SMILES notation for 5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride?
The canonical SMILES for 5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride is CN(C)c1ccc(OC(F)(F)F)c(C(=O)Cl)c1.
What is the InChIKey of 5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride?
The InChIKey is CPYPNMQEFNJYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-15(2)6-3-4-8(17-10(12,13)14)7(5-6)9(11)16/h3-5H,1-2H3.
What are the key properties of 5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride?
5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride has a molecular weight of 267.63 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride is sourced from PubChem (CID 134630024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).