aniline;3-(trifluoromethyl)aniline

C13H13F3N2 — CID 160634583

IUPACaniline;3-(trifluoromethyl)aniline
SMILESNc1cccc(C(F)(F)F)c1.Nc1ccccc1
InChIInChI=1S/C7H6F3N.C6H7N/c8-7(9,10)5-2-1-3-6(11)4-5;7-6-4-2-1-3-5-6/h1-4H,11H2;1-5H,7H2
InChIKeyRIJGQUQBDCRMJL-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.56
Rot. Bonds

About aniline;3-(trifluoromethyl)aniline

aniline;3-(trifluoromethyl)aniline (PubChem CID 160634583) has the molecular formula C13H13F3N2 and a molecular weight of 254.26 g/mol. Its IUPAC name is aniline;3-(trifluoromethyl)aniline.

Molecular Properties

Compound Nameaniline;3-(trifluoromethyl)aniline
PubChem CID160634583
Molecular FormulaC13H13F3N2
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Nameaniline;3-(trifluoromethyl)aniline
SMILESNc1cccc(C(F)(F)F)c1.Nc1ccccc1
InChIInChI=1S/C7H6F3N.C6H7N/c8-7(9,10)5-2-1-3-6(11)4-5;7-6-4-2-1-3-5-6/h1-4H,11H2;1-5H,7H2
InChIKeyRIJGQUQBDCRMJL-UHFFFAOYSA-N
XLogP3.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

sulfuric acid;3-(trifluoromethyl)aniline
CID 171926683
3-tert-butylaniline;tert-butylbenzene
CID 158494400
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
3-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]aniline
CID 79128230
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
(3-aminophenyl)methanetriamine
CID 175509279
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
CID 141309127
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
phenyl-[3-(trifluoromethyl)phenyl]iodanium bromide
CID 171372621
2,5-dimethoxyaniline;3-(trifluoromethyl)aniline
CID 159455621
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
trifluoromethylbenzene;dihydrochloride
CID 171928889

Frequently Asked Questions

What is the IUPAC name of aniline;3-(trifluoromethyl)aniline?
The IUPAC name of aniline;3-(trifluoromethyl)aniline (CID 160634583) is aniline;3-(trifluoromethyl)aniline.
What is the SMILES notation for aniline;3-(trifluoromethyl)aniline?
The canonical SMILES for aniline;3-(trifluoromethyl)aniline is Nc1cccc(C(F)(F)F)c1.Nc1ccccc1.
What is the InChIKey of aniline;3-(trifluoromethyl)aniline?
The InChIKey is RIJGQUQBDCRMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N.C6H7N/c8-7(9,10)5-2-1-3-6(11)4-5;7-6-4-2-1-3-5-6/h1-4H,11H2;1-5H,7H2.
What are the key properties of aniline;3-(trifluoromethyl)aniline?
aniline;3-(trifluoromethyl)aniline has a molecular weight of 254.26 g/mol, XLogP of 3.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;3-(trifluoromethyl)aniline is sourced from PubChem (CID 160634583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).