N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine

C11H5F5N2 — CID 114072340

IUPACN-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine
SMILESFc1ccc(Nc2nc(F)c(F)cc2F)c(F)c1
InChIInChI=1S/C11H5F5N2/c12-5-1-2-9(6(13)3-5)17-11-8(15)4-7(14)10(16)18-11/h1-4H,(H,17,18)
InChIKeyHKAGQEMLEAZTKI-UHFFFAOYSA-N
MW260.17 g/mol
LogP3.52
Rot. Bonds2

About N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine

N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine (PubChem CID 114072340) has the molecular formula C11H5F5N2 and a molecular weight of 260.17 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine
PubChem CID114072340
Molecular FormulaC11H5F5N2
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC NameN-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine
SMILESFc1ccc(Nc2nc(F)c(F)cc2F)c(F)c1
InChIInChI=1S/C11H5F5N2/c12-5-1-2-9(6(13)3-5)17-11-8(15)4-7(14)10(16)18-11/h1-4H,(H,17,18)
InChIKeyHKAGQEMLEAZTKI-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 114072745
N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072596
N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072308
6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine
CID 113316733
3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969398
6-chloro-N-(2,4-difluorophenyl)-4,5-dimethylpyridazin-3-amine
CID 55169284
2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786108
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 2730124
N-(2,4-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 5066401
N-(2,4-difluorophenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508328
6-N-(2,4-difluorophenyl)pyridine-2,6-diamine
CID 80647983

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine (CID 114072340) is N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine is Fc1ccc(Nc2nc(F)c(F)cc2F)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine?
The InChIKey is HKAGQEMLEAZTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F5N2/c12-5-1-2-9(6(13)3-5)17-11-8(15)4-7(14)10(16)18-11/h1-4H,(H,17,18).
What are the key properties of N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine?
N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine has a molecular weight of 260.17 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine is sourced from PubChem (CID 114072340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).