2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine

C9H8Cl3F2N — CID 115405634

IUPAC2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
SMILESFC(F)CNCc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl3F2N/c10-6-1-2-7(11)9(12)5(6)3-15-4-8(13)14/h1-2,8,15H,3-4H2
InChIKeyBGPCPGFIDMXJIJ-UHFFFAOYSA-N
MW274.52 g/mol
LogP4.00
Rot. Bonds4

About 2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine

2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine (PubChem CID 115405634) has the molecular formula C9H8Cl3F2N and a molecular weight of 274.52 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
PubChem CID115405634
Molecular FormulaC9H8Cl3F2N
Molecular Weight274.52 g/mol
Exact Mass272.97
IUPAC Name2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
SMILESFC(F)CNCc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl3F2N/c10-6-1-2-7(11)9(12)5(6)3-15-4-8(13)14/h1-2,8,15H,3-4H2
InChIKeyBGPCPGFIDMXJIJ-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
2-N,2-N-dimethyl-1-N-[(2,3,6-trichlorophenyl)methyl]propane-1,2-diamine
CID 115282416
2-methyl-3-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
CID 78971612
2-methyl-3-[(2,3,6-trichlorophenyl)methylamino]propanenitrile
CID 78991401
1-[(2,3,6-trichlorophenyl)methylamino]pentan-2-ol
CID 115623308
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
CID 115406997
1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 43234562
2-methyl-1-[(2,3,6-trichlorophenyl)methylamino]propan-2-ol
CID 78954209
N'-[(2,3,6-trichlorophenyl)methyl]butane-1,4-diamine
CID 115281252
N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine
CID 87065341
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 66525054
3-chloro-4-fluoro-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43772414

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine (CID 115405634) is 2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine is FC(F)CNCc1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine?
The InChIKey is BGPCPGFIDMXJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3F2N/c10-6-1-2-7(11)9(12)5(6)3-15-4-8(13)14/h1-2,8,15H,3-4H2.
What are the key properties of 2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine?
2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine has a molecular weight of 274.52 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 115405634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).