methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate

C9H16FNO2 — CID 170356914

IUPACmethyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CCF)CCCN1C
InChIInChI=1S/C9H16FNO2/c1-11-7-3-4-9(11,5-6-10)8(12)13-2/h3-7H2,1-2H3
InChIKeyNIPCZWJKXWSXHE-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.98
Rot. Bonds3

About methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate

methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate (PubChem CID 170356914) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate
PubChem CID170356914
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Namemethyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CCF)CCCN1C
InChIInChI=1S/C9H16FNO2/c1-11-7-3-4-9(11,5-6-10)8(12)13-2/h3-7H2,1-2H3
InChIKeyNIPCZWJKXWSXHE-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate (CID 170356914) is methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate is COC(=O)C1(CCF)CCCN1C.
What is the InChIKey of methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate?
The InChIKey is NIPCZWJKXWSXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-11-7-3-4-9(11,5-6-10)8(12)13-2/h3-7H2,1-2H3.
What are the key properties of methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate?
methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate has a molecular weight of 189.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 170356914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).