2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid

C10H10F3NO2 — CID 54593024

IUPAC2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)9(14-6-8(15)16)7-4-2-1-3-5-7/h1-5,9,14H,6H2,(H,15,16)
InChIKeyBSYFZKSBWDMHSB-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.96
Rot. Bonds4

About 2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid

2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid (PubChem CID 54593024) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
PubChem CID54593024
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)9(14-6-8(15)16)7-4-2-1-3-5-7/h1-5,9,14H,6H2,(H,15,16)
InChIKeyBSYFZKSBWDMHSB-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone
CID 95633483
N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861024
N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861047
N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861058
N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
CID 115750835
1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone
CID 86861012
methyl 5-[[2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetyl]amino]pentanoate
CID 56794608
N-(2,2,2-trifluoro-1-phenylethyl)prop-2-en-1-amine
CID 62046108
2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]butanoic acid
CID 122592350
N-[(4-methylsulfonylphenyl)methyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86860985
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone;dihydrochloride
CID 120747655
2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide
CID 51094643

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid (CID 54593024) is 2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid is O=C(O)CNC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid?
The InChIKey is BSYFZKSBWDMHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)9(14-6-8(15)16)7-4-2-1-3-5-7/h1-5,9,14H,6H2,(H,15,16).
What are the key properties of 2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid?
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid has a molecular weight of 233.19 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid is sourced from PubChem (CID 54593024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).