1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one

C15H13F2NO — CID 105411862

IUPAC1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
SMILESNc1ccc(CC(=O)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H13F2NO/c16-12-5-11(6-13(17)9-12)8-15(19)7-10-1-3-14(18)4-2-10/h1-6,9H,7-8,18H2
InChIKeyJQAWDSUZMKKHLJ-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.90
Rot. Bonds4

About 1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one

1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one (PubChem CID 105411862) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
PubChem CID105411862
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
SMILESNc1ccc(CC(=O)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H13F2NO/c16-12-5-11(6-13(17)9-12)8-15(19)7-10-1-3-14(18)4-2-10/h1-6,9H,7-8,18H2
InChIKeyJQAWDSUZMKKHLJ-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65476457
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
1-(4-aminophenyl)-3-bromopropan-2-one
CID 130951601
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
1-(3-bromo-5-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 79702459
(3,5-difluorophenyl)methyl 3-(4-aminophenyl)propanoate
CID 105407572
3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one
CID 116605567
2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114736180
1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one
CID 115786755
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one?
The IUPAC name of 1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one (CID 105411862) is 1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one is Nc1ccc(CC(=O)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one?
The InChIKey is JQAWDSUZMKKHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-12-5-11(6-13(17)9-12)8-15(19)7-10-1-3-14(18)4-2-10/h1-6,9H,7-8,18H2.
What are the key properties of 1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one?
1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one has a molecular weight of 261.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one is sourced from PubChem (CID 105411862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).