(3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone

C13H7F4NO — CID 79773346

IUPAC(3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone
SMILESNc1ccc(F)c(C(=O)c2cc(F)ccc2F)c1F
InChIInChI=1S/C13H7F4NO/c14-6-1-2-8(15)7(5-6)13(19)11-9(16)3-4-10(18)12(11)17/h1-5H,18H2
InChIKeyVREQPOVISNYPKP-UHFFFAOYSA-N
MW269.20 g/mol
LogP3.06
Rot. Bonds2

About (3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone

(3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone (PubChem CID 79773346) has the molecular formula C13H7F4NO and a molecular weight of 269.20 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone
PubChem CID79773346
Molecular FormulaC13H7F4NO
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Name(3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone
SMILESNc1ccc(F)c(C(=O)c2cc(F)ccc2F)c1F
InChIInChI=1S/C13H7F4NO/c14-6-1-2-8(15)7(5-6)13(19)11-9(16)3-4-10(18)12(11)17/h1-5H,18H2
InChIKeyVREQPOVISNYPKP-UHFFFAOYSA-N
XLogP3.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 53.06
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

(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 147893424
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(3-amino-2,6-difluorophenyl)-(7-bromo-1-benzothiophen-3-yl)methanone
CID 81129607
(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 79773205
(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79773139
(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone
CID 175550278
(3-amino-2,6-difluorophenyl)-(cyclohepten-1-yl)methanone
CID 79768522
(3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone
CID 79773002

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone (CID 79773346) is (3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone is Nc1ccc(F)c(C(=O)c2cc(F)ccc2F)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone?
The InChIKey is VREQPOVISNYPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO/c14-6-1-2-8(15)7(5-6)13(19)11-9(16)3-4-10(18)12(11)17/h1-5H,18H2.
What are the key properties of (3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone?
(3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone has a molecular weight of 269.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 79773346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).