methyl 2-fluoro-2-pyrrolidin-2-ylacetate

C7H12FNO2 — CID 105431567

IUPACmethyl 2-fluoro-2-pyrrolidin-2-ylacetate
SMILESCOC(=O)C(F)C1CCCN1
InChIInChI=1S/C7H12FNO2/c1-11-7(10)6(8)5-3-2-4-9-5/h5-6,9H,2-4H2,1H3
InChIKeyGGGFOKFGBVIGOI-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.25
Rot. Bonds2

About methyl 2-fluoro-2-pyrrolidin-2-ylacetate

methyl 2-fluoro-2-pyrrolidin-2-ylacetate (PubChem CID 105431567) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is methyl 2-fluoro-2-pyrrolidin-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-fluoro-2-pyrrolidin-2-ylacetate
PubChem CID105431567
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Namemethyl 2-fluoro-2-pyrrolidin-2-ylacetate
SMILESCOC(=O)C(F)C1CCCN1
InChIInChI=1S/C7H12FNO2/c1-11-7(10)6(8)5-3-2-4-9-5/h5-6,9H,2-4H2,1H3
InChIKeyGGGFOKFGBVIGOI-UHFFFAOYSA-N
XLogP0.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2-pyrrolidin-2-ylacetate?
The IUPAC name of methyl 2-fluoro-2-pyrrolidin-2-ylacetate (CID 105431567) is methyl 2-fluoro-2-pyrrolidin-2-ylacetate.
What is the SMILES notation for methyl 2-fluoro-2-pyrrolidin-2-ylacetate?
The canonical SMILES for methyl 2-fluoro-2-pyrrolidin-2-ylacetate is COC(=O)C(F)C1CCCN1.
What is the InChIKey of methyl 2-fluoro-2-pyrrolidin-2-ylacetate?
The InChIKey is GGGFOKFGBVIGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-11-7(10)6(8)5-3-2-4-9-5/h5-6,9H,2-4H2,1H3.
What are the key properties of methyl 2-fluoro-2-pyrrolidin-2-ylacetate?
methyl 2-fluoro-2-pyrrolidin-2-ylacetate has a molecular weight of 161.18 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2-pyrrolidin-2-ylacetate is sourced from PubChem (CID 105431567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).