(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone

C13H8F3NO — CID 82684855

IUPAC(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
SMILESNc1ccc(F)cc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H8F3NO/c14-8-1-2-12(17)11(6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6H,17H2
InChIKeyQXCZGOLAQFSXKQ-UHFFFAOYSA-N
MW251.21 g/mol
LogP2.92
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone

(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone (PubChem CID 82684855) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
PubChem CID82684855
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
SMILESNc1ccc(F)cc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H8F3NO/c14-8-1-2-12(17)11(6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6H,17H2
InChIKeyQXCZGOLAQFSXKQ-UHFFFAOYSA-N
XLogP2.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
CID 82685979
(2-amino-5-hydroxyphenyl)-(4-fluorophenyl)methanone
CID 105489008
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
(2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone
CID 116505707
(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
CID 107469180
bis(3,5-difluorophenyl)methanone
CID 2760569
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
(2-amino-4-bromophenyl)-(3-fluorophenyl)methanone
CID 116591874
(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319706

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone (CID 82684855) is (2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone is Nc1ccc(F)cc1C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone?
The InChIKey is QXCZGOLAQFSXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c14-8-1-2-12(17)11(6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6H,17H2.
What are the key properties of (2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone?
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone has a molecular weight of 251.21 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 82684855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).