3-fluoro-4-methoxypyrrolidine

C5H10FNO — CID 22603647

IUPAC3-fluoro-4-methoxypyrrolidine
SMILESCOC1CNCC1F
InChIInChI=1S/C5H10FNO/c1-8-5-3-7-2-4(5)6/h4-5,7H,2-3H2,1H3
InChIKeyDSXGOKWLUVYZCU-UHFFFAOYSA-N
MW119.14 g/mol
LogP-0.06
Rot. Bonds1

About 3-fluoro-4-methoxypyrrolidine

3-fluoro-4-methoxypyrrolidine (PubChem CID 22603647) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is 3-fluoro-4-methoxypyrrolidine.

Molecular Properties

Compound Name3-fluoro-4-methoxypyrrolidine
PubChem CID22603647
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name3-fluoro-4-methoxypyrrolidine
SMILESCOC1CNCC1F
InChIInChI=1S/C5H10FNO/c1-8-5-3-7-2-4(5)6/h4-5,7H,2-3H2,1H3
InChIKeyDSXGOKWLUVYZCU-UHFFFAOYSA-N
XLogP-0.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxypyrrolidine?
The IUPAC name of 3-fluoro-4-methoxypyrrolidine (CID 22603647) is 3-fluoro-4-methoxypyrrolidine.
What is the SMILES notation for 3-fluoro-4-methoxypyrrolidine?
The canonical SMILES for 3-fluoro-4-methoxypyrrolidine is COC1CNCC1F.
What is the InChIKey of 3-fluoro-4-methoxypyrrolidine?
The InChIKey is DSXGOKWLUVYZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-8-5-3-7-2-4(5)6/h4-5,7H,2-3H2,1H3.
What are the key properties of 3-fluoro-4-methoxypyrrolidine?
3-fluoro-4-methoxypyrrolidine has a molecular weight of 119.14 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxypyrrolidine is sourced from PubChem (CID 22603647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).