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

C9H16FNO2 — CID 169131336

IUPACmethyl (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C)CCCN1CCF
InChIInChI=1S/C9H16FNO2/c1-9(8(12)13-2)4-3-6-11(9)7-5-10/h3-7H2,1-2H3/t9-/m1/s1
InChIKeyMCBPHXNKVJKQHE-SECBINFHSA-N
MW189.23 g/mol
LogP0.98
Rot. Bonds3

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

methyl (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate (PubChem CID 169131336) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is methyl (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate
PubChem CID169131336
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Namemethyl (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C)CCCN1CCF
InChIInChI=1S/C9H16FNO2/c1-9(8(12)13-2)4-3-6-11(9)7-5-10/h3-7H2,1-2H3/t9-/m1/s1
InChIKeyMCBPHXNKVJKQHE-SECBINFHSA-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 (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate (CID 169131336) is methyl (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate is COC(=O)[C@@]1(C)CCCN1CCF.
What is the InChIKey of methyl (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate?
The InChIKey is MCBPHXNKVJKQHE-SECBINFHSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-9(8(12)13-2)4-3-6-11(9)7-5-10/h3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate?
methyl (2R)-1-(2-fluoroethyl)-2-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 (2R)-1-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 169131336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).