N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline

C13H9F3N2O — CID 19021339

IUPACN-(4-nitrosophenyl)-2-(trifluoromethyl)aniline
SMILESO=Nc1ccc(Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)11-3-1-2-4-12(11)17-9-5-7-10(18-19)8-6-9/h1-8,17H
InChIKeyJQRHMVGZZDVEJH-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.85
Rot. Bonds3

About N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline

N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline (PubChem CID 19021339) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-nitrosophenyl)-2-(trifluoromethyl)aniline
PubChem CID19021339
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC NameN-(4-nitrosophenyl)-2-(trifluoromethyl)aniline
SMILESO=Nc1ccc(Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)11-3-1-2-4-12(11)17-9-5-7-10(18-19)8-6-9/h1-8,17H
InChIKeyJQRHMVGZZDVEJH-UHFFFAOYSA-N
XLogP4.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 88701681
2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid
CID 63500586
5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 67532141
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 155291177
N-[(Z)-benzylideneamino]-2-(trifluoromethyl)aniline
CID 6305730
3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide
CID 59496251
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545606
1-[4-[[6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866563
2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 91021616
N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 63404593
2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 3511340

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline (CID 19021339) is N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline is O=Nc1ccc(Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline?
The InChIKey is JQRHMVGZZDVEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-13(15,16)11-3-1-2-4-12(11)17-9-5-7-10(18-19)8-6-9/h1-8,17H.
What are the key properties of N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline?
N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline has a molecular weight of 266.22 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 19021339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).