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

C13H8Cl3F2N — CID 28992578

IUPAC2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline
SMILESFc1cccc(F)c1CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3F2N/c14-7-4-9(15)13(10(16)5-7)19-6-8-11(17)2-1-3-12(8)18/h1-5,19H,6H2
InChIKeyHNWLCNOFCMEQBD-UHFFFAOYSA-N
MW322.57 g/mol
LogP5.54
Rot. Bonds3

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

2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline (PubChem CID 28992578) has the molecular formula C13H8Cl3F2N and a molecular weight of 322.57 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline
PubChem CID28992578
Molecular FormulaC13H8Cl3F2N
Molecular Weight322.57 g/mol
Exact Mass320.97
IUPAC Name2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline
SMILESFc1cccc(F)c1CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3F2N/c14-7-4-9(15)13(10(16)5-7)19-6-8-11(17)2-1-3-12(8)18/h1-5,19H,6H2
InChIKeyHNWLCNOFCMEQBD-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

2,4,6-trichloro-N-[(2-chloro-3-fluorophenyl)methyl]aniline
CID 112651817
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 30051961
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487265
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892
2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402948
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]aniline
CID 65469695
2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline
CID 107598297
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
CID 28967830
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline (CID 28992578) is 2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline is Fc1cccc(F)c1CNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline?
The InChIKey is HNWLCNOFCMEQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3F2N/c14-7-4-9(15)13(10(16)5-7)19-6-8-11(17)2-1-3-12(8)18/h1-5,19H,6H2.
What are the key properties of 2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline?
2,4,6-trichloro-N-[(2,6-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-[(2,6-difluorophenyl)methyl]aniline is sourced from PubChem (CID 28992578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).