4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline

C9H9BrF3N — CID 688191

IUPAC4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H9BrF3N/c1-14(2)6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,1-2H3
InChIKeyDBSFECXQLNDZAX-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.53
Rot. Bonds1

About 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline

4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline (PubChem CID 688191) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
PubChem CID688191
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H9BrF3N/c1-14(2)6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,1-2H3
InChIKeyDBSFECXQLNDZAX-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N,N-dimethylaniline
CID 11465
4-Bromo-3-(trifluoromethyl)aniline
CID 67852
4-Bromo-N,N,3-trimethylaniline
CID 12385715
N,N-dimethyl-3-(trifluoromethyl)aniline
CID 5324699
N,N,N-Trimethyl-3-(trifluoromethyl)anilinium hydroxide
CID 2760772
4-Bromo-N,N,3,5-tetramethylaniline
CID 44629944
N,N-diethyl-3-trifluoromethylaniline
CID 12695408
3-(Trifluoromethyl)phenyltrimethylammonium Bromide
CID 2760770
2-Bromo-N,N,5-trimethylaniline
CID 3355354
3-bromo-N,N,4-trimethylaniline
CID 12385716
2-(Dimethylamino)-2'-bromo-1,1'-biphenyl
CID 16217793
3-(bromomethyl)-N,N-dimethylaniline hydrobromide
CID 19090139

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline (CID 688191) is 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline is CN(C)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline?
The InChIKey is DBSFECXQLNDZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c1-14(2)6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,1-2H3.
What are the key properties of 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline?
4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline has a molecular weight of 268.08 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 688191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).