2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate

C10H18FNO2 — CID 59598969

IUPAC2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OCCF)C1
InChIInChI=1S/C10H18FNO2/c1-8(2)9-3-5-12(7-9)10(13)14-6-4-11/h8-9H,3-7H2,1-2H3
InChIKeyWPHWPNXTBASBED-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.07
Rot. Bonds3

About 2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate

2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate (PubChem CID 59598969) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate
PubChem CID59598969
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OCCF)C1
InChIInChI=1S/C10H18FNO2/c1-8(2)9-3-5-12(7-9)10(13)14-6-4-11/h8-9H,3-7H2,1-2H3
InChIKeyWPHWPNXTBASBED-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate (CID 59598969) is 2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate is CC(C)C1CCN(C(=O)OCCF)C1.
What is the InChIKey of 2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate?
The InChIKey is WPHWPNXTBASBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-8(2)9-3-5-12(7-9)10(13)14-6-4-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate?
2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 3-propan-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 59598969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).