2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline

C12H16F4N2 — CID 107347369

IUPAC2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCCCN(Cc1cccc(N)c1F)CC(F)(F)F
InChIInChI=1S/C12H16F4N2/c1-2-6-18(8-12(14,15)16)7-9-4-3-5-10(17)11(9)13/h3-5H,2,6-8,17H2,1H3
InChIKeyDFSVBOMZFXFGLS-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.18
Rot. Bonds5

About 2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline

2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline (PubChem CID 107347369) has the molecular formula C12H16F4N2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
PubChem CID107347369
Molecular FormulaC12H16F4N2
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCCCN(Cc1cccc(N)c1F)CC(F)(F)F
InChIInChI=1S/C12H16F4N2/c1-2-6-18(8-12(14,15)16)7-9-4-3-5-10(17)11(9)13/h3-5H,2,6-8,17H2,1H3
InChIKeyDFSVBOMZFXFGLS-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 78924660
3-(diethylaminomethyl)-2-fluoroaniline
CID 107347165
2-fluoro-3-[[methyl(propyl)amino]methyl]aniline
CID 107347221
N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79659974
3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377
N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 169245512
2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55009209
2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
2-chloro-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006318
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The IUPAC name of 2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline (CID 107347369) is 2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline.
What is the SMILES notation for 2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The canonical SMILES for 2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline is CCCN(Cc1cccc(N)c1F)CC(F)(F)F.
What is the InChIKey of 2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The InChIKey is DFSVBOMZFXFGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2/c1-2-6-18(8-12(14,15)16)7-9-4-3-5-10(17)11(9)13/h3-5H,2,6-8,17H2,1H3.
What are the key properties of 2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline has a molecular weight of 264.27 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline is sourced from PubChem (CID 107347369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).