3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid

C10H18F3NO3 — CID 63692151

IUPAC3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCCOCCN(CC)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-3-14(5-6-17-4-2)8(7-9(15)16)10(11,12)13/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyOJZCBINRJFVUGN-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.75
Rot. Bonds8

About 3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid

3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid (PubChem CID 63692151) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid
PubChem CID63692151
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCCOCCN(CC)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-3-14(5-6-17-4-2)8(7-9(15)16)10(11,12)13/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyOJZCBINRJFVUGN-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid (CID 63692151) is 3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid is CCOCCN(CC)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is OJZCBINRJFVUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-3-14(5-6-17-4-2)8(7-9(15)16)10(11,12)13/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid?
3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(ethyl)amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 63692151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).