3-(1-amino-2,2,2-trifluoroethyl)aniline

C8H9F3N2 — CID 55273208

IUPAC3-(1-amino-2,2,2-trifluoroethyl)aniline
SMILESNc1cccc(C(N)C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7(13)5-2-1-3-6(12)4-5/h1-4,7H,12-13H2
InChIKeyGZGINCNYZAQOMU-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.83
Rot. Bonds1

About 3-(1-amino-2,2,2-trifluoroethyl)aniline

3-(1-amino-2,2,2-trifluoroethyl)aniline (PubChem CID 55273208) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 3-(1-amino-2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name3-(1-amino-2,2,2-trifluoroethyl)aniline
PubChem CID55273208
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name3-(1-amino-2,2,2-trifluoroethyl)aniline
SMILESNc1cccc(C(N)C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7(13)5-2-1-3-6(12)4-5/h1-4,7H,12-13H2
InChIKeyGZGINCNYZAQOMU-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

3-(1,2,2,2-tetrafluoroethyl)aniline
CID 83854117
3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 171238998
(1S)-1-(3-tert-butylphenyl)-2,2,2-trifluoroethanamine
CID 66510224
3-(2,2,2-trifluoro-1-methoxyethyl)aniline
CID 68987189
(1S)-2,2,2-trifluoro-1-(3-pyridin-4-ylphenyl)ethanamine
CID 66511669
(2S)-2-amino-2-(3-aminophenyl)ethanol
CID 66513825
3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline
CID 66275415
(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171239754
(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine
CID 66510325
(1S)-2,2,2-trifluoro-1-(3-methylsulfonylphenyl)ethanamine;hydrochloride
CID 162344458
5-[amino-(3-aminophenyl)methyl]benzene-1,3-diamine
CID 67060857
5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
CID 55274382

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2,2,2-trifluoroethyl)aniline?
The IUPAC name of 3-(1-amino-2,2,2-trifluoroethyl)aniline (CID 55273208) is 3-(1-amino-2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 3-(1-amino-2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 3-(1-amino-2,2,2-trifluoroethyl)aniline is Nc1cccc(C(N)C(F)(F)F)c1.
What is the InChIKey of 3-(1-amino-2,2,2-trifluoroethyl)aniline?
The InChIKey is GZGINCNYZAQOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)7(13)5-2-1-3-6(12)4-5/h1-4,7H,12-13H2.
What are the key properties of 3-(1-amino-2,2,2-trifluoroethyl)aniline?
3-(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 3-(1-amino-2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 55273208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).