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

C9H16F3NO3 — CID 63073832

IUPAC3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCCN(CCOC)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-13(4-5-16-2)7(6-8(14)15)9(10,11)12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyWRFUNNWDAGRFJL-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.36
Rot. Bonds7

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

3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid (PubChem CID 63073832) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
PubChem CID63073832
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCCN(CCOC)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-13(4-5-16-2)7(6-8(14)15)9(10,11)12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyWRFUNNWDAGRFJL-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid (CID 63073832) is 3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid is CCN(CCOC)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is WRFUNNWDAGRFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-3-13(4-5-16-2)7(6-8(14)15)9(10,11)12/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 243.22 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 63073832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).