4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol

C10H20FNO2 — CID 58778782

IUPAC4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol
SMILESCN1C[C@@H](F)C[C@H]1COCCCCO
InChIInChI=1S/C10H20FNO2/c1-12-7-9(11)6-10(12)8-14-5-3-2-4-13/h9-10,13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyDVKYRJDPMVCQCS-UWVGGRQHSA-N
MW205.27 g/mol
LogP0.82
Rot. Bonds6

About 4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol

4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol (PubChem CID 58778782) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is 4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol.

Molecular Properties

Compound Name4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol
PubChem CID58778782
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Name4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol
SMILESCN1C[C@@H](F)C[C@H]1COCCCCO
InChIInChI=1S/C10H20FNO2/c1-12-7-9(11)6-10(12)8-14-5-3-2-4-13/h9-10,13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyDVKYRJDPMVCQCS-UWVGGRQHSA-N
XLogP0.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol?
The IUPAC name of 4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol (CID 58778782) is 4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol.
What is the SMILES notation for 4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol?
The canonical SMILES for 4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol is CN1C[C@@H](F)C[C@H]1COCCCCO.
What is the InChIKey of 4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol?
The InChIKey is DVKYRJDPMVCQCS-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-12-7-9(11)6-10(12)8-14-5-3-2-4-13/h9-10,13H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of 4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol?
4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol has a molecular weight of 205.27 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol is sourced from PubChem (CID 58778782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).