N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline

C16H13F6N — CID 118813099

IUPACN,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline
SMILESCN(C)c1cccc(C(F)(F)F)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F6N/c1-23(2)13-9-5-8-12(16(20,21)22)14(13)10-6-3-4-7-11(10)15(17,18)19/h3-9H,1-2H3
InChIKeyYDFCWMBPBMYNIS-UHFFFAOYSA-N
MW333.28 g/mol
LogP5.46
Rot. Bonds2

About N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline

N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline (PubChem CID 118813099) has the molecular formula C16H13F6N and a molecular weight of 333.28 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline
PubChem CID118813099
Molecular FormulaC16H13F6N
Molecular Weight333.28 g/mol
Exact Mass333.10
IUPAC NameN,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline
SMILESCN(C)c1cccc(C(F)(F)F)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F6N/c1-23(2)13-9-5-8-12(16(20,21)22)14(13)10-6-3-4-7-11(10)15(17,18)19/h3-9H,1-2H3
InChIKeyYDFCWMBPBMYNIS-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-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline
CID 134615440
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631566
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 155291177
1,2,4,5-tetrafluoro-3-methyl-6-[2-(trifluoromethyl)phenyl]benzene
CID 134628456
N,N-dimethyl-2,3-diphenylaniline
CID 18930760
1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 134626767
N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 58003548
3-methyl-2-[2-(trifluoromethyl)phenyl]benzoic acid
CID 67230455
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine
CID 58113742

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline?
The IUPAC name of N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline (CID 118813099) is N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline is CN(C)c1cccc(C(F)(F)F)c1-c1ccccc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline?
The InChIKey is YDFCWMBPBMYNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N/c1-23(2)13-9-5-8-12(16(20,21)22)14(13)10-6-3-4-7-11(10)15(17,18)19/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline?
N,N-dimethyl-3-(trifluoromethyl)-2-[2-(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)-2-[2-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 118813099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).