1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C10H7F6NO — CID 103311154

IUPAC1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESNc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F6NO/c11-9(12,13)8(10(14,15)16)7(18)5-1-3-6(17)4-2-5/h1-4,8H,17H2
InChIKeyMTEQNQTWSADBDF-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.19
Rot. Bonds2

About 1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103311154) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103311154
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESNc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F6NO/c11-9(12,13)8(10(14,15)16)7(18)5-1-3-6(17)4-2-5/h1-4,8H,17H2
InChIKeyMTEQNQTWSADBDF-UHFFFAOYSA-N
XLogP3.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide
CID 103309343
1-(4-butan-2-ylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309340
3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 107129942
N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
CID 103309029
2,2-diaminooxy-1-(4-aminophenyl)ethanone
CID 163727924
4-aminobenzoic acid;hydrofluoride
CID 159690577
2,4-bis(4-aminophenyl)-1,1,1,5,5,5-hexafluoropentan-3-one
CID 151270804
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydrobenzimidazol-2-one
CID 103309353
[4-[4-(4-aminobenzoyl)phenyl]phenyl]-(4-aminophenyl)methanone
CID 14344374
bis(4-aminobenzoic acid);ethene
CID 158776608
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
CID 103309352
1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one
CID 130564781

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103311154) is 1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is Nc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is MTEQNQTWSADBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c11-9(12,13)8(10(14,15)16)7(18)5-1-3-6(17)4-2-5/h1-4,8H,17H2.
What are the key properties of 1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 271.16 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103311154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).