4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one

C17H17F2NO — CID 114935521

IUPAC4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one
SMILESCC(CC(=O)Cc1c(F)cccc1F)c1ccc(N)cc1
InChIInChI=1S/C17H17F2NO/c1-11(12-5-7-13(20)8-6-12)9-14(21)10-15-16(18)3-2-4-17(15)19/h2-8,11H,9-10,20H2,1H3
InChIKeySDTBKFQMJIUMQB-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.85
Rot. Bonds5

About 4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one

4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one (PubChem CID 114935521) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one
PubChem CID114935521
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC Name4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one
SMILESCC(CC(=O)Cc1c(F)cccc1F)c1ccc(N)cc1
InChIInChI=1S/C17H17F2NO/c1-11(12-5-7-13(20)8-6-12)9-14(21)10-15-16(18)3-2-4-17(15)19/h2-8,11H,9-10,20H2,1H3
InChIKeySDTBKFQMJIUMQB-UHFFFAOYSA-N
XLogP3.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.85
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

4-(4-aminophenyl)-1-(2-chloro-3-fluorophenyl)pentan-2-one
CID 116612829
4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one
CID 107311478
4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one
CID 116612699
2-(4-aminophenyl)oct-7-yn-4-one
CID 116612816
5-amino-1-(2-chloro-6-fluorophenyl)-4-methylpentan-2-one
CID 116596491
3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one
CID 107515017
1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 116612864
4-(4-aminophenyl)-1-(2-chloro-6-fluorophenyl)butan-2-one
CID 116605403
6-amino-1-(2,6-difluorophenyl)hexan-2-one
CID 114935403

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one?
The IUPAC name of 4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one (CID 114935521) is 4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one?
The canonical SMILES for 4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one is CC(CC(=O)Cc1c(F)cccc1F)c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one?
The InChIKey is SDTBKFQMJIUMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-11(12-5-7-13(20)8-6-12)9-14(21)10-15-16(18)3-2-4-17(15)19/h2-8,11H,9-10,20H2,1H3.
What are the key properties of 4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one?
4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one has a molecular weight of 289.32 g/mol, XLogP of 3.85, 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-(2,6-difluorophenyl)pentan-2-one is sourced from PubChem (CID 114935521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).