1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone

C14H10F3NO — CID 152905588

IUPAC1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESNc1cc(C(=O)Cc2ccc(F)cc2)c(F)cc1F
InChIInChI=1S/C14H10F3NO/c15-9-3-1-8(2-4-9)5-14(19)10-6-13(18)12(17)7-11(10)16/h1-4,6-7H,5,18H2
InChIKeyUGEKSCFBHGXZMM-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.11
Rot. Bonds3

About 1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone

1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 152905588) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone
PubChem CID152905588
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESNc1cc(C(=O)Cc2ccc(F)cc2)c(F)cc1F
InChIInChI=1S/C14H10F3NO/c15-9-3-1-8(2-4-9)5-14(19)10-6-13(18)12(17)7-11(10)16/h1-4,6-7H,5,18H2
InChIKeyUGEKSCFBHGXZMM-UHFFFAOYSA-N
XLogP3.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.11
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

2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
CID 103301488
1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 148613451
1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 147893424
1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone
CID 65478906
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
CID 132915843
1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82685660
(4-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814938
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 66660404
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 61077688
1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 75481107
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone (CID 152905588) is 1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone is Nc1cc(C(=O)Cc2ccc(F)cc2)c(F)cc1F.
What is the InChIKey of 1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is UGEKSCFBHGXZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-9-3-1-8(2-4-9)5-14(19)10-6-13(18)12(17)7-11(10)16/h1-4,6-7H,5,18H2.
What are the key properties of 1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone?
1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 265.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 152905588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).