N-methyl-N,4-bis(trifluoromethyl)aniline

C9H7F6N — CID 162674916

IUPACN-methyl-N,4-bis(trifluoromethyl)aniline
SMILESCN(c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H7F6N/c1-16(9(13,14)15)7-4-2-6(3-5-7)8(10,11)12/h2-5H,1H3
InChIKeyTVBMFRWAQXRDRE-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.66
Rot. Bonds1

About N-methyl-N,4-bis(trifluoromethyl)aniline

N-methyl-N,4-bis(trifluoromethyl)aniline (PubChem CID 162674916) has the molecular formula C9H7F6N and a molecular weight of 243.15 g/mol. Its IUPAC name is N-methyl-N,4-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-N,4-bis(trifluoromethyl)aniline
PubChem CID162674916
Molecular FormulaC9H7F6N
Molecular Weight243.15 g/mol
Exact Mass243.05
IUPAC NameN-methyl-N,4-bis(trifluoromethyl)aniline
SMILESCN(c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H7F6N/c1-16(9(13,14)15)7-4-2-6(3-5-7)8(10,11)12/h2-5H,1H3
InChIKeyTVBMFRWAQXRDRE-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-methyl-N,4-bis(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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,2-Trimethylaniline
CID 11869
p-(Dimethylamino)cinnamonitrile
CID 5374281
4-(Dimethylamino)benzenecarbothioamide
CID 816768
Michler's ethylene
CID 81995
N-Ethyl-p-toluidine
CID 61164
Benzenamine, N,N-diethyl-2-methyl-
CID 69075

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,4-bis(trifluoromethyl)aniline?
The IUPAC name of N-methyl-N,4-bis(trifluoromethyl)aniline (CID 162674916) is N-methyl-N,4-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-N,4-bis(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-N,4-bis(trifluoromethyl)aniline is CN(c1ccc(C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of N-methyl-N,4-bis(trifluoromethyl)aniline?
The InChIKey is TVBMFRWAQXRDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N/c1-16(9(13,14)15)7-4-2-6(3-5-7)8(10,11)12/h2-5H,1H3.
What are the key properties of N-methyl-N,4-bis(trifluoromethyl)aniline?
N-methyl-N,4-bis(trifluoromethyl)aniline has a molecular weight of 243.15 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,4-bis(trifluoromethyl)aniline is sourced from PubChem (CID 162674916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).