5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline

C15H13F4N — CID 118801806

IUPAC5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline
SMILESCN(C)c1cc(F)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4N/c1-20(2)14-9-12(16)7-8-13(14)10-3-5-11(6-4-10)15(17,18)19/h3-9H,1-2H3
InChIKeyXYLVYHMGJVWYHU-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.58
Rot. Bonds2

About 5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline

5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 118801806) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline
PubChem CID118801806
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline
SMILESCN(C)c1cc(F)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4N/c1-20(2)14-9-12(16)7-8-13(14)10-3-5-11(6-4-10)15(17,18)19/h3-9H,1-2H3
InChIKeyXYLVYHMGJVWYHU-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline (CID 118801806) is 5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline is CN(C)c1cc(F)ccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is XYLVYHMGJVWYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-20(2)14-9-12(16)7-8-13(14)10-3-5-11(6-4-10)15(17,18)19/h3-9H,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline?
5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 283.27 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 118801806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).