N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline

C16H13F6N — CID 118830034

IUPACN,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline
SMILESCN(C)c1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H13F6N/c1-23(2)14-8-11(7-13(9-14)16(20,21)22)10-4-3-5-12(6-10)15(17,18)19/h3-9H,1-2H3
InChIKeyYYJKISODNJJMNI-UHFFFAOYSA-N
MW333.28 g/mol
LogP5.46
Rot. Bonds2

About N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline

N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 118830034) has the molecular formula C16H13F6N and a molecular weight of 333.28 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline
PubChem CID118830034
Molecular FormulaC16H13F6N
Molecular Weight333.28 g/mol
Exact Mass333.10
IUPAC NameN,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline
SMILESCN(C)c1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H13F6N/c1-23(2)14-8-11(7-13(9-14)16(20,21)22)10-4-3-5-12(6-10)15(17,18)19/h3-9H,1-2H3
InChIKeyYYJKISODNJJMNI-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.28
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline
CID 59709261
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 90097413
1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene
CID 134622895
3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline
CID 162537631
N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 170865959
N,N,3-trimethyl-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 134417261
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
N-methyl-N-[3-(trifluoromethyl)phenyl]formamide
CID 162541615
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline (CID 118830034) is N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline is CN(C)c1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is YYJKISODNJJMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N/c1-23(2)14-8-11(7-13(9-14)16(20,21)22)10-4-3-5-12(6-10)15(17,18)19/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline?
N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 333.28 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 118830034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).