2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid

C10H18F3NO3 — CID 62820072

IUPAC2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid
SMILESCCN(CCOCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-4-14(9(2,3)8(15)16)5-6-17-7-10(11,12)13/h4-7H2,1-3H3,(H,15,16)
InChIKeyZOEKGVFAHKYVRA-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.75
Rot. Bonds7

About 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid (PubChem CID 62820072) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid
PubChem CID62820072
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid
SMILESCCN(CCOCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-4-14(9(2,3)8(15)16)5-6-17-7-10(11,12)13/h4-7H2,1-3H3,(H,15,16)
InChIKeyZOEKGVFAHKYVRA-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61343842
2-[Methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid
CID 129013060
3-[Tert-butyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962328
2-[Butan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54962378
2-[2-Methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54969255
2-Methyl-2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoic acid
CID 55123598
Tert-butyl 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetate
CID 60256718
2-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490705
2-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490866
2-[Propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490867
Ethyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetate
CID 61517320
Ethyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetate
CID 61517705

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid (CID 62820072) is 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid is CCN(CCOCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid?
The InChIKey is ZOEKGVFAHKYVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-4-14(9(2,3)8(15)16)5-6-17-7-10(11,12)13/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).