N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline

C16H12F7N — CID 171837541

IUPACN-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline
SMILESCc1cc(C(F)(F)F)cc(C(F)(F)F)c1N(C)c1ccc(F)cc1
InChIInChI=1S/C16H12F7N/c1-9-7-10(15(18,19)20)8-13(16(21,22)23)14(9)24(2)12-5-3-11(17)4-6-12/h3-8H,1-2H3
InChIKeyIINWONVFZSSJLT-UHFFFAOYSA-N
MW351.27 g/mol
LogP5.94
Rot. Bonds2

About N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline

N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline (PubChem CID 171837541) has the molecular formula C16H12F7N and a molecular weight of 351.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline
PubChem CID171837541
Molecular FormulaC16H12F7N
Molecular Weight351.27 g/mol
Exact Mass351.09
IUPAC NameN-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline
SMILESCc1cc(C(F)(F)F)cc(C(F)(F)F)c1N(C)c1ccc(F)cc1
InChIInChI=1S/C16H12F7N/c1-9-7-10(15(18,19)20)8-13(16(21,22)23)14(9)24(2)12-5-3-11(17)4-6-12/h3-8H,1-2H3
InChIKeyIINWONVFZSSJLT-UHFFFAOYSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.27
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-fluorophenyl)-N,2-dimethyl-4,6-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

Bis(p-(dimethylamino)phenyl)methane
CID 7567
4-Dimethylaminostilbene
CID 640024
4,4'-methylenebis[N,N-diethylaniline]
CID 67288
N,N-Dimethyl-4-(2-phenylethenyl)benzenamine
CID 13284
Michler's ethylene
CID 81995
Fidas-3
CID 51039205
(E)-4-(2-(4-Fluorophenyl)ethenyl)benzenamine, N,N-dimethyl-
CID 5463186
n,n-Dimethyl-4-(1-phenylethenyl)aniline
CID 292243
4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 345432
1,6-Bis(4''-dimethylaminophenyl)-hexa-1,3,5-triene
CID 11537013
6-(3,5-Difluorophenyl)-2,2,4-trimethyl-1,2-dihydroquinoline
CID 10613134
4-[2-(2,6-difluorophenyl)ethynyl]-N,N-dimethylaniline
CID 118387940

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline?
The IUPAC name of N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline (CID 171837541) is N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline?
The canonical SMILES for N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline is Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1N(C)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline?
The InChIKey is IINWONVFZSSJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F7N/c1-9-7-10(15(18,19)20)8-13(16(21,22)23)14(9)24(2)12-5-3-11(17)4-6-12/h3-8H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline?
N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline has a molecular weight of 351.27 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N,2-dimethyl-4,6-bis(trifluoromethyl)aniline is sourced from PubChem (CID 171837541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).