2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

C14H9Cl2F4N — CID 83078179

IUPAC2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(Cl)c(NCc2ccc(C(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C14H9Cl2F4N/c15-11-5-10(17)6-12(16)13(11)21-7-8-1-3-9(4-2-8)14(18,19)20/h1-6,21H,7H2
InChIKeyYQEJVXMBVWQOPD-UHFFFAOYSA-N
MW338.13 g/mol
LogP5.76
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 83078179) has the molecular formula C14H9Cl2F4N and a molecular weight of 338.13 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID83078179
Molecular FormulaC14H9Cl2F4N
Molecular Weight338.13 g/mol
Exact Mass337.00
IUPAC Name2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(Cl)c(NCc2ccc(C(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C14H9Cl2F4N/c15-11-5-10(17)6-12(16)13(11)21-7-8-1-3-9(4-2-8)14(18,19)20/h1-6,21H,7H2
InChIKeyYQEJVXMBVWQOPD-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.13
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 28993149
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
4-bromo-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 63449383
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
CID 83077123
4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29299136
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-nitrophenyl)methyl]aniline
CID 83078219
2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402948
2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 62815004
2-chloro-4,6-difluoro-N-[(4-nitrophenyl)methyl]aniline
CID 82890271

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 83078179) is 2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is Fc1cc(Cl)c(NCc2ccc(C(F)(F)F)cc2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is YQEJVXMBVWQOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F4N/c15-11-5-10(17)6-12(16)13(11)21-7-8-1-3-9(4-2-8)14(18,19)20/h1-6,21H,7H2.
What are the key properties of 2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 338.13 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 83078179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).