4-(trifluoromethylamino)benzoyl fluoride

C8H5F4NO — CID 154123235

IUPAC4-(trifluoromethylamino)benzoyl fluoride
SMILESO=C(F)c1ccc(NC(F)(F)F)cc1
InChIInChI=1S/C8H5F4NO/c9-7(14)5-1-3-6(4-2-5)13-8(10,11)12/h1-4,13H
InChIKeyJHQUFFFJAAWDMF-UHFFFAOYSA-N
MW207.13 g/mol
LogP2.73
Rot. Bonds2

About 4-(trifluoromethylamino)benzoyl fluoride

4-(trifluoromethylamino)benzoyl fluoride (PubChem CID 154123235) has the molecular formula C8H5F4NO and a molecular weight of 207.13 g/mol. Its IUPAC name is 4-(trifluoromethylamino)benzoyl fluoride.

Molecular Properties

Compound Name4-(trifluoromethylamino)benzoyl fluoride
PubChem CID154123235
Molecular FormulaC8H5F4NO
Molecular Weight207.13 g/mol
Exact Mass207.03
IUPAC Name4-(trifluoromethylamino)benzoyl fluoride
SMILESO=C(F)c1ccc(NC(F)(F)F)cc1
InChIInChI=1S/C8H5F4NO/c9-7(14)5-1-3-6(4-2-5)13-8(10,11)12/h1-4,13H
InChIKeyJHQUFFFJAAWDMF-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylamino)benzoyl fluoride?
The IUPAC name of 4-(trifluoromethylamino)benzoyl fluoride (CID 154123235) is 4-(trifluoromethylamino)benzoyl fluoride.
What is the SMILES notation for 4-(trifluoromethylamino)benzoyl fluoride?
The canonical SMILES for 4-(trifluoromethylamino)benzoyl fluoride is O=C(F)c1ccc(NC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethylamino)benzoyl fluoride?
The InChIKey is JHQUFFFJAAWDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO/c9-7(14)5-1-3-6(4-2-5)13-8(10,11)12/h1-4,13H.
What are the key properties of 4-(trifluoromethylamino)benzoyl fluoride?
4-(trifluoromethylamino)benzoyl fluoride has a molecular weight of 207.13 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylamino)benzoyl fluoride is sourced from PubChem (CID 154123235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).