1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone

C14H11F2NO — CID 82685528

IUPAC1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
SMILESNc1ccc(F)cc1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H11F2NO/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(16)4-5-13(12)17/h1-6,8H,7,17H2
InChIKeyTUQKVPVAVBGUEP-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.97
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone

1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone (PubChem CID 82685528) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
PubChem CID82685528
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
SMILESNc1ccc(F)cc1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H11F2NO/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(16)4-5-13(12)17/h1-6,8H,7,17H2
InChIKeyTUQKVPVAVBGUEP-UHFFFAOYSA-N
XLogP2.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.97
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

1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 147059181
1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone
CID 83173098
1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82685660
1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 113403008
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 66660404
1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone
CID 82704146
1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
CID 116609736
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 105398326
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
CID 132915843
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone (CID 82685528) is 1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone is Nc1ccc(F)cc1C(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is TUQKVPVAVBGUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(16)4-5-13(12)17/h1-6,8H,7,17H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone?
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone has a molecular weight of 247.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 82685528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).