1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one

C10H8F3NO — CID 130564781

IUPAC1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one
SMILESC=C(C(=O)c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C10H8F3NO/c1-6(10(11,12)13)9(15)7-2-4-8(14)5-3-7/h2-5H,1,14H2
InChIKeyLJZUJWYFCXTIOS-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.57
Rot. Bonds2

About 1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one

1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one (PubChem CID 130564781) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one
PubChem CID130564781
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one
SMILESC=C(C(=O)c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C10H8F3NO/c1-6(10(11,12)13)9(15)7-2-4-8(14)5-3-7/h2-5H,1,14H2
InChIKeyLJZUJWYFCXTIOS-UHFFFAOYSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one (CID 130564781) is 1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one is C=C(C(=O)c1ccc(N)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one?
The InChIKey is LJZUJWYFCXTIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c1-6(10(11,12)13)9(15)7-2-4-8(14)5-3-7/h2-5H,1,14H2.
What are the key properties of 1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one?
1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one has a molecular weight of 215.17 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(trifluoromethyl)prop-2-en-1-one is sourced from PubChem (CID 130564781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).