2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride

C11H11ClF3NO — CID 117047666

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride
SMILESCC(C)(C(=O)Cl)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H11ClF3NO/c1-10(2,9(12)17)7-4-3-6(5-8(7)16)11(13,14)15/h3-5H,16H2,1-2H3
InChIKeyWKSKAJHOKDYPMH-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.33
Rot. Bonds2

About 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride

2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride (PubChem CID 117047666) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride
PubChem CID117047666
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride
SMILESCC(C)(C(=O)Cl)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H11ClF3NO/c1-10(2,9(12)17)7-4-3-6(5-8(7)16)11(13,14)15/h3-5H,16H2,1-2H3
InChIKeyWKSKAJHOKDYPMH-UHFFFAOYSA-N
XLogP3.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylbutanoyl chloride
CID 117047857
2-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-3,3-dimethyl-1-phenylbutan-1-one
CID 67705898
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
acetic acid;2-amino-4-(trifluoromethyl)phenol
CID 174902727
2-[2-amino-4-(trifluoromethyl)phenyl]propan-2-ylsulfanylmethanediamine
CID 146253911
ethyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpent-4-enoate
CID 117049245
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
1-[2-amino-4-(trifluoromethyl)phenyl]-2-chloropropan-1-one
CID 166641473
1-[2,5-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-one
CID 146009239
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpent-4-enenitrile
CID 117049296
[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate
CID 151784104

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride (CID 117047666) is 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride is CC(C)(C(=O)Cl)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride?
The InChIKey is WKSKAJHOKDYPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-10(2,9(12)17)7-4-3-6(5-8(7)16)11(13,14)15/h3-5H,16H2,1-2H3.
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride?
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride has a molecular weight of 265.66 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride is sourced from PubChem (CID 117047666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).