2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide

C9H8F4N2O — CID 68716892

IUPAC2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(N)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H8F4N2O/c10-4-1-2-5(7(14)8(15)16)6(3-4)9(11,12)13/h1-3,7H,14H2,(H2,15,16)
InChIKeyCCBYWUDOXOBHJK-UHFFFAOYSA-N
MW236.17 g/mol
LogP1.33
Rot. Bonds2

About 2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide

2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 68716892) has the molecular formula C9H8F4N2O and a molecular weight of 236.17 g/mol. Its IUPAC name is 2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID68716892
Molecular FormulaC9H8F4N2O
Molecular Weight236.17 g/mol
Exact Mass236.06
IUPAC Name2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(N)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H8F4N2O/c10-4-1-2-5(7(14)8(15)16)6(3-4)9(11,12)13/h1-3,7H,14H2,(H2,15,16)
InChIKeyCCBYWUDOXOBHJK-UHFFFAOYSA-N
XLogP1.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 79021947
(3S)-3-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 79015985
[1,2-diamino-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] 2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 87691936
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
3-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 117116266
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242678
(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 171228633

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide (CID 68716892) is 2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide is NC(=O)C(N)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CCBYWUDOXOBHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O/c10-4-1-2-5(7(14)8(15)16)6(3-4)9(11,12)13/h1-3,7H,14H2,(H2,15,16).
What are the key properties of 2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 236.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 68716892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).