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

C9H10F3N — CID 6432341

IUPACN,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3N/c1-13(2)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3
InChIKeyMLFFPCMQWLVVLM-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.77
Rot. Bonds1

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

N,N-dimethyl-4-(trifluoromethyl)aniline (PubChem CID 6432341) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is N,N-dimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(trifluoromethyl)aniline
PubChem CID6432341
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC NameN,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3N/c1-13(2)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3
InChIKeyMLFFPCMQWLVVLM-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Dimethylaniline
CID 949
Dimethyl-p-toluidine
CID 7471
Bis(p-(dimethylamino)phenyl)methane
CID 7567
N-Ethyl-N-benzylaniline
CID 7098
N,N-dimethyl-m-toluidine
CID 8488
4-Dimethylaminostilbene
CID 640024
N,N-diethyl-m-toluidine
CID 66679
N,N,N',N'-Tetramethylbenzidine
CID 9702
3,3-Dimethyl-1-(4-methylphenyl)-1-triazene
CID 81618
N,N,2-Trimethylaniline
CID 11869
2,N-Dimethylaniline
CID 69137
p-(Dimethylamino)cinnamonitrile
CID 5374281

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of N,N-dimethyl-4-(trifluoromethyl)aniline (CID 6432341) is N,N-dimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(trifluoromethyl)aniline is CN(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-4-(trifluoromethyl)aniline?
The InChIKey is MLFFPCMQWLVVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-13(2)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-4-(trifluoromethyl)aniline?
N,N-dimethyl-4-(trifluoromethyl)aniline has a molecular weight of 189.18 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 6432341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).