4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid

C9H16FNO3 — CID 80694302

IUPAC4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCF)C1COCC1C(=O)O
InChIInChI=1S/C9H16FNO3/c1-2-11(4-3-10)8-6-14-5-7(8)9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyRJDXOSMILLTBBP-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.38
Rot. Bonds5

About 4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid

4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid (PubChem CID 80694302) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid
PubChem CID80694302
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCF)C1COCC1C(=O)O
InChIInChI=1S/C9H16FNO3/c1-2-11(4-3-10)8-6-14-5-7(8)9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyRJDXOSMILLTBBP-UHFFFAOYSA-N
XLogP0.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid (CID 80694302) is 4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid is CCN(CCF)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is RJDXOSMILLTBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-2-11(4-3-10)8-6-14-5-7(8)9(12)13/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-fluoroethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 80694302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).