4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid

C10H16F3NO3 — CID 66245709

IUPAC4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-2-14(4-3-10(11,12)13)8-6-17-5-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyAOKPKNUIUINNJI-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.36
Rot. Bonds5

About 4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid

4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid (PubChem CID 66245709) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid
PubChem CID66245709
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-2-14(4-3-10(11,12)13)8-6-17-5-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyAOKPKNUIUINNJI-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid (CID 66245709) is 4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid is CCN(CCC(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid?
The InChIKey is AOKPKNUIUINNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-14(4-3-10(11,12)13)8-6-17-5-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid has a molecular weight of 255.24 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).