[4-(trifluoromethyl)benzoyl]azanium

C8H7F3NO+ — CID 153171776

IUPAC[4-(trifluoromethyl)benzoyl]azanium
SMILES[NH3+]C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)/p+1
InChIKeyWEJHBEDHLLBJFW-UHFFFAOYSA-O
MW190.14 g/mol
LogP1.09
Rot. Bonds1

About [4-(trifluoromethyl)benzoyl]azanium

[4-(trifluoromethyl)benzoyl]azanium (PubChem CID 153171776) has the molecular formula C8H7F3NO+ and a molecular weight of 190.14 g/mol. Its IUPAC name is [4-(trifluoromethyl)benzoyl]azanium.

Molecular Properties

Compound Name[4-(trifluoromethyl)benzoyl]azanium
PubChem CID153171776
Molecular FormulaC8H7F3NO+
Molecular Weight190.14 g/mol
Exact Mass190.05
IUPAC Name[4-(trifluoromethyl)benzoyl]azanium
SMILES[NH3+]C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)/p+1
InChIKeyWEJHBEDHLLBJFW-UHFFFAOYSA-O
XLogP1.09
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
3-oxo-3-[4-(trifluoromethyl)phenyl]propanal
CID 43114751
amino 4-(trifluoromethyl)benzoate
CID 23201930
2,2,2-trideuterio-1-[4-(trifluoromethyl)phenyl]ethanone
CID 102059263
CID 161391832
CID 161391832
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
CID 141127548
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090
2,2-dimethoxy-1,3-bis[4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 11560797
2-methyl-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 141194647
2-bromo-2-chloro-1-[4-(trifluoromethyl)phenyl]ethanone
CID 155932133

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)benzoyl]azanium?
The IUPAC name of [4-(trifluoromethyl)benzoyl]azanium (CID 153171776) is [4-(trifluoromethyl)benzoyl]azanium.
What is the SMILES notation for [4-(trifluoromethyl)benzoyl]azanium?
The canonical SMILES for [4-(trifluoromethyl)benzoyl]azanium is [NH3+]C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)benzoyl]azanium?
The InChIKey is WEJHBEDHLLBJFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)/p+1.
What are the key properties of [4-(trifluoromethyl)benzoyl]azanium?
[4-(trifluoromethyl)benzoyl]azanium has a molecular weight of 190.14 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)benzoyl]azanium is sourced from PubChem (CID 153171776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).