methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate

C8H14FNO2 — CID 118019715

IUPACmethyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)C[C@@H](F)CN1C
InChIInChI=1S/C8H14FNO2/c1-8(7(11)12-3)4-6(9)5-10(8)2/h6H,4-5H2,1-3H3/t6-,8?/m1/s1
InChIKeyKZLJYNJXKFYJFL-XPJFZRNWSA-N
MW175.20 g/mol
LogP0.59
Rot. Bonds1

About methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate

methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate (PubChem CID 118019715) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate
PubChem CID118019715
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Namemethyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)C[C@@H](F)CN1C
InChIInChI=1S/C8H14FNO2/c1-8(7(11)12-3)4-6(9)5-10(8)2/h6H,4-5H2,1-3H3/t6-,8?/m1/s1
InChIKeyKZLJYNJXKFYJFL-XPJFZRNWSA-N
XLogP0.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate (CID 118019715) is methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate is COC(=O)C1(C)C[C@@H](F)CN1C.
What is the InChIKey of methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate?
The InChIKey is KZLJYNJXKFYJFL-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-8(7(11)12-3)4-6(9)5-10(8)2/h6H,4-5H2,1-3H3/t6-,8?/m1/s1.
What are the key properties of methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate?
methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate has a molecular weight of 175.20 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 118019715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).