N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline

C12H12F6N2 — CID 143549898

IUPACN,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline
SMILESC/C(=N\c1cc(C(F)(F)F)ccc1N(C)C)C(F)(F)F
InChIInChI=1S/C12H12F6N2/c1-7(11(13,14)15)19-9-6-8(12(16,17)18)4-5-10(9)20(2)3/h4-6H,1-3H3/b19-7+
InChIKeyLLTCCLPIWKZRSJ-FBCYGCLPSA-N
MW298.23 g/mol
LogP4.43
Rot. Bonds2

About N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline

N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline (PubChem CID 143549898) has the molecular formula C12H12F6N2 and a molecular weight of 298.23 g/mol. Its IUPAC name is N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline
PubChem CID143549898
Molecular FormulaC12H12F6N2
Molecular Weight298.23 g/mol
Exact Mass298.09
IUPAC NameN,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline
SMILESC/C(=N\c1cc(C(F)(F)F)ccc1N(C)C)C(F)(F)F
InChIInChI=1S/C12H12F6N2/c1-7(11(13,14)15)19-9-6-8(12(16,17)18)4-5-10(9)20(2)3/h4-6H,1-3H3/b19-7+
InChIKeyLLTCCLPIWKZRSJ-FBCYGCLPSA-N
XLogP4.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)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

[2-(dimethylamino)-5-(trifluoromethyl)phenyl]boronic acid
CID 91758868
N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 10340860
2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115111123
2-[[2-(dimethylamino)-5-(trifluoromethyl)phenyl]iminomethyl]-4-nitrophenolate
CID 7569352
2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115113362
N-(2-bromophenyl)-1,1,1-trifluoropropan-2-imine
CID 102273309
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
N-[2,5-bis(trifluoromethyl)phenyl]-1-(2-fluorophenyl)ethanimine
CID 10405506
2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine
CID 22120088
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 54879441
ethyl 2-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108849
1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 75471105

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline?
The IUPAC name of N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline (CID 143549898) is N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline.
What is the SMILES notation for N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline?
The canonical SMILES for N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline is C/C(=N\c1cc(C(F)(F)F)ccc1N(C)C)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline?
The InChIKey is LLTCCLPIWKZRSJ-FBCYGCLPSA-N. The full InChI is InChI=1S/C12H12F6N2/c1-7(11(13,14)15)19-9-6-8(12(16,17)18)4-5-10(9)20(2)3/h4-6H,1-3H3/b19-7+.
What are the key properties of N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline?
N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline has a molecular weight of 298.23 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylideneamino)aniline is sourced from PubChem (CID 143549898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).