(3S)-3-fluoro-1-methylpyrrolidine;methoxyethane

C8H18FNO — CID 166533777

IUPAC(3S)-3-fluoro-1-methylpyrrolidine;methoxyethane
SMILESCCOC.CN1CC[C@H](F)C1
InChIInChI=1S/C5H10FN.C3H8O/c1-7-3-2-5(6)4-7;1-3-4-2/h5H,2-4H2,1H3;3H2,1-2H3/t5-;/m0./s1
InChIKeyFMEKOYUPYYOUEP-JEDNCBNOSA-N
MW163.24 g/mol
LogP1.31
Rot. Bonds1

About (3S)-3-fluoro-1-methylpyrrolidine;methoxyethane

(3S)-3-fluoro-1-methylpyrrolidine;methoxyethane (PubChem CID 166533777) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is (3S)-3-fluoro-1-methylpyrrolidine;methoxyethane.

Molecular Properties

Compound Name(3S)-3-fluoro-1-methylpyrrolidine;methoxyethane
PubChem CID166533777
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name(3S)-3-fluoro-1-methylpyrrolidine;methoxyethane
SMILESCCOC.CN1CC[C@H](F)C1
InChIInChI=1S/C5H10FN.C3H8O/c1-7-3-2-5(6)4-7;1-3-4-2/h5H,2-4H2,1H3;3H2,1-2H3/t5-;/m0./s1
InChIKeyFMEKOYUPYYOUEP-JEDNCBNOSA-N
XLogP1.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-methylpyrrolidine;methoxyethane?
The IUPAC name of (3S)-3-fluoro-1-methylpyrrolidine;methoxyethane (CID 166533777) is (3S)-3-fluoro-1-methylpyrrolidine;methoxyethane.
What is the SMILES notation for (3S)-3-fluoro-1-methylpyrrolidine;methoxyethane?
The canonical SMILES for (3S)-3-fluoro-1-methylpyrrolidine;methoxyethane is CCOC.CN1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-1-methylpyrrolidine;methoxyethane?
The InChIKey is FMEKOYUPYYOUEP-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H10FN.C3H8O/c1-7-3-2-5(6)4-7;1-3-4-2/h5H,2-4H2,1H3;3H2,1-2H3/t5-;/m0./s1.
What are the key properties of (3S)-3-fluoro-1-methylpyrrolidine;methoxyethane?
(3S)-3-fluoro-1-methylpyrrolidine;methoxyethane has a molecular weight of 163.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-methylpyrrolidine;methoxyethane is sourced from PubChem (CID 166533777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).