2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline

C9H10Cl2F2N2 — CID 82841143

IUPAC2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline
SMILESNc1c(Cl)cc(CNCC(F)F)cc1Cl
InChIInChI=1S/C9H10Cl2F2N2/c10-6-1-5(2-7(11)9(6)14)3-15-4-8(12)13/h1-2,8,15H,3-4,14H2
InChIKeyIVNQKWGDKHABLI-UHFFFAOYSA-N
MW255.09 g/mol
LogP2.93
Rot. Bonds4

About 2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline

2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline (PubChem CID 82841143) has the molecular formula C9H10Cl2F2N2 and a molecular weight of 255.09 g/mol. Its IUPAC name is 2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline
PubChem CID82841143
Molecular FormulaC9H10Cl2F2N2
Molecular Weight255.09 g/mol
Exact Mass254.02
IUPAC Name2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline
SMILESNc1c(Cl)cc(CNCC(F)F)cc1Cl
InChIInChI=1S/C9H10Cl2F2N2/c10-6-1-5(2-7(11)9(6)14)3-15-4-8(12)13/h1-2,8,15H,3-4,14H2
InChIKeyIVNQKWGDKHABLI-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline
CID 82833180
4-[(benzylamino)methyl]-2,6-dichloroaniline
CID 82833040
N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine
CID 87065341
2,6-dichloro-4-[(thiophen-3-ylmethylamino)methyl]aniline
CID 82841230
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
CID 115405634
4-[[(5-bromothiophen-2-yl)methylamino]methyl]-2,6-dichloroaniline
CID 82840620
2,6-ditert-butyl-4-[(2,2-difluoroethylamino)methyl]phenol
CID 115406049
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
CID 115406997
2,6-dichloro-4-[(oxolan-2-ylmethylamino)methyl]aniline
CID 82833111
N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 87415673

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline (CID 82841143) is 2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline is Nc1c(Cl)cc(CNCC(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline?
The InChIKey is IVNQKWGDKHABLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F2N2/c10-6-1-5(2-7(11)9(6)14)3-15-4-8(12)13/h1-2,8,15H,3-4,14H2.
What are the key properties of 2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline?
2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline has a molecular weight of 255.09 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline is sourced from PubChem (CID 82841143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).