2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline

C14H12Cl2FN — CID 134631655

IUPAC2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)cccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12Cl2FN/c1-18(2)14-12(4-3-5-13(14)17)9-6-10(15)8-11(16)7-9/h3-8H,1-2H3
InChIKeyQZVAXIGENVJBKA-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.87
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline

2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline (PubChem CID 134631655) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline
PubChem CID134631655
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)cccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12Cl2FN/c1-18(2)14-12(4-3-5-13(14)17)9-6-10(15)8-11(16)7-9/h3-8H,1-2H3
InChIKeyQZVAXIGENVJBKA-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline?
The IUPAC name of 2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline (CID 134631655) is 2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline?
The canonical SMILES for 2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline is CN(C)c1c(F)cccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline?
The InChIKey is QZVAXIGENVJBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-18(2)14-12(4-3-5-13(14)17)9-6-10(15)8-11(16)7-9/h3-8H,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline?
2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline has a molecular weight of 284.16 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-6-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 134631655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).