4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one

C16H16FNO — CID 116605498

IUPAC4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one
SMILESNc1ccc(CCC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C16H16FNO/c17-16-4-2-1-3-13(16)11-15(19)10-7-12-5-8-14(18)9-6-12/h1-6,8-9H,7,10-11,18H2
InChIKeyQJPLEGKUYKESCW-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.15
Rot. Bonds5

About 4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one

4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one (PubChem CID 116605498) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one
PubChem CID116605498
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one
SMILESNc1ccc(CCC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C16H16FNO/c17-16-4-2-1-3-13(16)11-15(19)10-7-12-5-8-14(18)9-6-12/h1-6,8-9H,7,10-11,18H2
InChIKeyQJPLEGKUYKESCW-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.15
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

4-(4-aminophenyl)-1-(5-bromo-2-fluorophenyl)butan-2-one
CID 116605593
4-(4-aminophenyl)-1-(2-chloro-6-fluorophenyl)butan-2-one
CID 116605403
4-[3-(2-fluorophenyl)propyl]aniline
CID 47003655
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
4-(4-aminophenyl)-1-(3,5-dimethylphenyl)butan-2-one
CID 116605365
1-(2-chloro-3-fluorophenyl)-4-(4-methylphenyl)butan-2-one
CID 105127131
4-(4-aminophenyl)-1-bromobutan-2-one
CID 89231280
1-(4-aminophenyl)hexan-3-one
CID 116605405
1-(4-aminophenyl)hex-5-yn-3-one
CID 116605362
3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 61117007
1-(2-fluorophenyl)octan-2-one
CID 62620630
3-(4-aminophenyl)-1-(2-fluorophenyl)-3-methylbutan-2-one
CID 116598766

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one?
The IUPAC name of 4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one (CID 116605498) is 4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one?
The canonical SMILES for 4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one is Nc1ccc(CCC(=O)Cc2ccccc2F)cc1.
What is the InChIKey of 4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one?
The InChIKey is QJPLEGKUYKESCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-16-4-2-1-3-13(16)11-15(19)10-7-12-5-8-14(18)9-6-12/h1-6,8-9H,7,10-11,18H2.
What are the key properties of 4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one?
4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one has a molecular weight of 257.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one is sourced from PubChem (CID 116605498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).