2-fluoro-N-(2,2,2-trifluoroethyl)aniline

C8H7F4N — CID 28581729

IUPAC2-fluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESFc1ccccc1NCC(F)(F)F
InChIInChI=1S/C8H7F4N/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h1-4,13H,5H2
InChIKeyXXWAVDYNAVOKMP-UHFFFAOYSA-N
MW193.14 g/mol
LogP2.80
Rot. Bonds2

About 2-fluoro-N-(2,2,2-trifluoroethyl)aniline

2-fluoro-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 28581729) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is 2-fluoro-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(2,2,2-trifluoroethyl)aniline
PubChem CID28581729
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name2-fluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESFc1ccccc1NCC(F)(F)F
InChIInChI=1S/C8H7F4N/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h1-4,13H,5H2
InChIKeyXXWAVDYNAVOKMP-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 114492664
N-(2,2,2-trifluoroethyl)aniline
CID 9596
[4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol
CID 91361402
N-bromo-2-fluoroaniline
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2-amino-N-[2-(2,2,2-trifluoroethylamino)phenyl]acetamide
CID 119861596
1-(2,2,2-trifluoroethylamino)anthracene-9,10-dione
CID 154105166
2-fluoro-6-[(2-methyl-2-phenylpropyl)amino]benzonitrile
CID 32809400
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
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2-fluoro-N-(3-methoxy-3-methylbutyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-fluoro-N-(2,2,2-trifluoroethyl)aniline (CID 28581729) is 2-fluoro-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-fluoro-N-(2,2,2-trifluoroethyl)aniline is Fc1ccccc1NCC(F)(F)F.
What is the InChIKey of 2-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is XXWAVDYNAVOKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h1-4,13H,5H2.
What are the key properties of 2-fluoro-N-(2,2,2-trifluoroethyl)aniline?
2-fluoro-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 193.14 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 28581729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).