2-(1-amino-2,2,2-trifluoroethyl)aniline

C8H9F3N2 — CID 55273211

IUPAC2-(1-amino-2,2,2-trifluoroethyl)aniline
SMILESNc1ccccc1C(N)C(F)(F)F
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,7H,12-13H2
InChIKeyNEPWAMPNCDPCCZ-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.83
Rot. Bonds1

About 2-(1-amino-2,2,2-trifluoroethyl)aniline

2-(1-amino-2,2,2-trifluoroethyl)aniline (PubChem CID 55273211) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2-(1-amino-2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(1-amino-2,2,2-trifluoroethyl)aniline
PubChem CID55273211
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2-(1-amino-2,2,2-trifluoroethyl)aniline
SMILESNc1ccccc1C(N)C(F)(F)F
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,7H,12-13H2
InChIKeyNEPWAMPNCDPCCZ-UHFFFAOYSA-N
XLogP1.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.83
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

2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
CID 66510923
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol
CID 55277980
2-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 118797641
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 73424692
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine
CID 66511757
2-[(1S)-1-amino-2,2,2-trifluoroethyl]benzonitrile;hydrochloride
CID 162309012
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171250237
2-[amino(bromo)methyl]aniline
CID 174846455
(1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine
CID 66511571

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(1-amino-2,2,2-trifluoroethyl)aniline (CID 55273211) is 2-(1-amino-2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(1-amino-2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(1-amino-2,2,2-trifluoroethyl)aniline is Nc1ccccc1C(N)C(F)(F)F.
What is the InChIKey of 2-(1-amino-2,2,2-trifluoroethyl)aniline?
The InChIKey is NEPWAMPNCDPCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,7H,12-13H2.
What are the key properties of 2-(1-amino-2,2,2-trifluoroethyl)aniline?
2-(1-amino-2,2,2-trifluoroethyl)aniline has a molecular weight of 190.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 55273211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).