N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline

C9H7F6N — CID 11746827

IUPACN-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F6N/c10-8(11,12)5-16-7-3-1-2-6(4-7)9(13,14)15/h1-4,16H,5H2
InChIKeyOVIFIBWSSSOXLF-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.68
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline

N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline (PubChem CID 11746827) has the molecular formula C9H7F6N and a molecular weight of 243.15 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
PubChem CID11746827
Molecular FormulaC9H7F6N
Molecular Weight243.15 g/mol
Exact Mass243.05
IUPAC NameN-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F6N/c10-8(11,12)5-16-7-3-1-2-6(4-7)9(13,14)15/h1-4,16H,5H2
InChIKeyOVIFIBWSSSOXLF-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
N-ethyl-3-methylaniline
CID 7603
N,N-diethyl-m-toluidine
CID 66679
Benzylaniline
CID 66028
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
2,N-Dimethylaniline
CID 69137
TFMPP hydrochloride
CID 3084246
N-(3-Methylphenyl)benzenemethanamine
CID 222281
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
Benzenamine, N-ethyl-2-methyl-
CID 7201
Acetamide, N-(3-(trifluoromethyl)phenyl)-
CID 9595

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline (CID 11746827) is N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline is FC(F)(F)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline?
The InChIKey is OVIFIBWSSSOXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N/c10-8(11,12)5-16-7-3-1-2-6(4-7)9(13,14)15/h1-4,16H,5H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline?
N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline has a molecular weight of 243.15 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 11746827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).