1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone

C14H10F3NO — CID 147893424

IUPAC1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESNc1ccc(F)c(C(=O)Cc2ccc(F)cc2)c1F
InChIInChI=1S/C14H10F3NO/c15-9-3-1-8(2-4-9)7-12(19)13-10(16)5-6-11(18)14(13)17/h1-6H,7,18H2
InChIKeyICVHJVIPFROTDH-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.11
Rot. Bonds3

About 1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone

1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 147893424) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
PubChem CID147893424
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESNc1ccc(F)c(C(=O)Cc2ccc(F)cc2)c1F
InChIInChI=1S/C14H10F3NO/c15-9-3-1-8(2-4-9)7-12(19)13-10(16)5-6-11(18)14(13)17/h1-6H,7,18H2
InChIKeyICVHJVIPFROTDH-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

N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide
CID 146866561
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 61077688
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone
CID 79757959
1-(3-amino-2-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 148613451
(3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone
CID 79773346
1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 152905588
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide
CID 79758297
1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 106941686
1-(2,6-difluoro-3-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 82819556
ethyl 3-amino-2,6-difluorobenzoate
CID 23137423

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone (CID 147893424) is 1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone is Nc1ccc(F)c(C(=O)Cc2ccc(F)cc2)c1F.
What is the InChIKey of 1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is ICVHJVIPFROTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-9-3-1-8(2-4-9)7-12(19)13-10(16)5-6-11(18)14(13)17/h1-6H,7,18H2.
What are the key properties of 1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone?
1-(3-amino-2,6-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-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 147893424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).