2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline

C13H8Cl3F2N — CID 105402948

IUPAC2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
SMILESFc1cc(F)cc(CNc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl3F2N/c14-8-3-11(15)13(12(16)4-8)19-6-7-1-9(17)5-10(18)2-7/h1-5,19H,6H2
InChIKeyVDWYQZSTTCDSEA-UHFFFAOYSA-N
MW322.57 g/mol
LogP5.54
Rot. Bonds3

About 2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline

2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline (PubChem CID 105402948) has the molecular formula C13H8Cl3F2N and a molecular weight of 322.57 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
PubChem CID105402948
Molecular FormulaC13H8Cl3F2N
Molecular Weight322.57 g/mol
Exact Mass320.97
IUPAC Name2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
SMILESFc1cc(F)cc(CNc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl3F2N/c14-8-3-11(15)13(12(16)4-8)19-6-7-1-9(17)5-10(18)2-7/h1-5,19H,6H2
InChIKeyVDWYQZSTTCDSEA-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048
2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
CID 83077123
2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402904
2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 83078179
4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 83081403
2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 28992578
2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline
CID 107526967
2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 83077206
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631
2,4,6-trichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43773692
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487265

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline (CID 105402948) is 2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline is Fc1cc(F)cc(CNc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline?
The InChIKey is VDWYQZSTTCDSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3F2N/c14-8-3-11(15)13(12(16)4-8)19-6-7-1-9(17)5-10(18)2-7/h1-5,19H,6H2.
What are the key properties of 2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline?
2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline has a molecular weight of 322.57 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline is sourced from PubChem (CID 105402948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).