2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate

C9H16FNO2 — CID 89005857

IUPAC2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate
SMILESCCC1CCN(C(=O)OCCF)C1
InChIInChI=1S/C9H16FNO2/c1-2-8-3-5-11(7-8)9(12)13-6-4-10/h8H,2-7H2,1H3
InChIKeyXXXVMTPKBLCYPK-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.82
Rot. Bonds3

About 2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate

2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate (PubChem CID 89005857) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate
PubChem CID89005857
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate
SMILESCCC1CCN(C(=O)OCCF)C1
InChIInChI=1S/C9H16FNO2/c1-2-8-3-5-11(7-8)9(12)13-6-4-10/h8H,2-7H2,1H3
InChIKeyXXXVMTPKBLCYPK-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate (CID 89005857) is 2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate is CCC1CCN(C(=O)OCCF)C1.
What is the InChIKey of 2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate?
The InChIKey is XXXVMTPKBLCYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-2-8-3-5-11(7-8)9(12)13-6-4-10/h8H,2-7H2,1H3.
What are the key properties of 2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate?
2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate has a molecular weight of 189.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 3-ethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 89005857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).