2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid

C8H11F3N2O2 — CID 103371514

IUPAC2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(C#N)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-2-13(5-7(14)15)4-6(3-12)8(9,10)11/h6H,2,4-5H2,1H3,(H,14,15)
InChIKeyHRMNNDXLWICXNA-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.09
Rot. Bonds5

About 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid

2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid (PubChem CID 103371514) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid
PubChem CID103371514
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(C#N)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-2-13(5-7(14)15)4-6(3-12)8(9,10)11/h6H,2,4-5H2,1H3,(H,14,15)
InChIKeyHRMNNDXLWICXNA-UHFFFAOYSA-N
XLogP1.09
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyano-3,3,3-trifluoropropyl)-propylamino]acetic acid
CID 103371515
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide
CID 103367792
2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid
CID 103371484
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide
CID 103367802
2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide
CID 103367872
2-[2,2-difluoroethyl(ethyl)amino]acetic acid
CID 61011889
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367790
2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367206
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63901716
2-[(N-ethylanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367670

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid (CID 103371514) is 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid is CCN(CC(=O)O)CC(C#N)C(F)(F)F.
What is the InChIKey of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid?
The InChIKey is HRMNNDXLWICXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-2-13(5-7(14)15)4-6(3-12)8(9,10)11/h6H,2,4-5H2,1H3,(H,14,15).
What are the key properties of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid?
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid has a molecular weight of 224.18 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid is sourced from PubChem (CID 103371514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).