4-(2,2,2-trifluoroethyl)aniline

C8H8F3N — CID 14836858

IUPAC4-(2,2,2-trifluoroethyl)aniline
SMILESNc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C8H8F3N/c9-8(10,11)5-6-1-3-7(12)4-2-6/h1-4H,5,12H2
InChIKeyDALKOEVEKVKJQX-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.37
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)aniline

4-(2,2,2-trifluoroethyl)aniline (PubChem CID 14836858) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)aniline
PubChem CID14836858
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name4-(2,2,2-trifluoroethyl)aniline
SMILESNc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C8H8F3N/c9-8(10,11)5-6-1-3-7(12)4-2-6/h1-4H,5,12H2
InChIKeyDALKOEVEKVKJQX-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 67818172
3-(2,2,2-trifluoroethyl)aniline
CID 54595012
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
3-[4-(2,2,2-trifluoroethyl)phenyl]propan-1-amine
CID 84682649
4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline
CID 154634123
(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 96762163
1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361
2-[4-(2,2,2-trifluoroethyl)phenyl]acetonitrile
CID 84668654
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
4-[2-amino-3-(4-aminophenyl)-2-methylpropyl]aniline
CID 54001373
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-(2,2,2-trifluoroethyl)aniline (CID 14836858) is 4-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)aniline is Nc1ccc(CC(F)(F)F)cc1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)aniline?
The InChIKey is DALKOEVEKVKJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c9-8(10,11)5-6-1-3-7(12)4-2-6/h1-4H,5,12H2.
What are the key properties of 4-(2,2,2-trifluoroethyl)aniline?
4-(2,2,2-trifluoroethyl)aniline has a molecular weight of 175.15 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 14836858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).