4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol

C11H22FNO2 — CID 163845176

IUPAC4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol
SMILESCCN1C[C@@H](F)C[C@H]1COCCCCO
InChIInChI=1S/C11H22FNO2/c1-2-13-8-10(12)7-11(13)9-15-6-4-3-5-14/h10-11,14H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyOPNMWMXQEMSJKM-QWRGUYRKSA-N
MW219.30 g/mol
LogP1.21
Rot. Bonds7

About 4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol

4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol (PubChem CID 163845176) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is 4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol.

Molecular Properties

Compound Name4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol
PubChem CID163845176
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Name4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol
SMILESCCN1C[C@@H](F)C[C@H]1COCCCCO
InChIInChI=1S/C11H22FNO2/c1-2-13-8-10(12)7-11(13)9-15-6-4-3-5-14/h10-11,14H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyOPNMWMXQEMSJKM-QWRGUYRKSA-N
XLogP1.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 51.21
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)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol?
The IUPAC name of 4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol (CID 163845176) is 4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol.
What is the SMILES notation for 4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol?
The canonical SMILES for 4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol is CCN1C[C@@H](F)C[C@H]1COCCCCO.
What is the InChIKey of 4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol?
The InChIKey is OPNMWMXQEMSJKM-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22FNO2/c1-2-13-8-10(12)7-11(13)9-15-6-4-3-5-14/h10-11,14H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of 4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol?
4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol has a molecular weight of 219.30 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol is sourced from PubChem (CID 163845176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).