2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

C7H8F6N2O3 — CID 79266783

IUPAC2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H8F6N2O3/c8-6(9,10)2-14-5(18)15(1-4(16)17)3-7(11,12)13/h1-3H2,(H,14,18)(H,16,17)
InChIKeyAQFCZKKHJHCUAG-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.21
Rot. Bonds4

About 2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (PubChem CID 79266783) has the molecular formula C7H8F6N2O3 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
PubChem CID79266783
Molecular FormulaC7H8F6N2O3
Molecular Weight282.14 g/mol
Exact Mass282.04
IUPAC Name2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H8F6N2O3/c8-6(9,10)2-14-5(18)15(1-4(16)17)3-7(11,12)13/h1-3H2,(H,14,18)(H,16,17)
InChIKeyAQFCZKKHJHCUAG-UHFFFAOYSA-N
XLogP1.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 63645928
2-[[2-(dimethylamino)-2-methylpropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266284
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950
2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258875
2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266291
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
2-[3-(ethylamino)propylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265962
2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881
2-[(4-ethoxy-4-oxobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264664
2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263691
2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106341305

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (CID 79266783) is 2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The InChIKey is AQFCZKKHJHCUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6N2O3/c8-6(9,10)2-14-5(18)15(1-4(16)17)3-7(11,12)13/h1-3H2,(H,14,18)(H,16,17).
What are the key properties of 2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid has a molecular weight of 282.14 g/mol, XLogP of 1.21, 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-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79266783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).