4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol

C9H18FNO3 — CID 174447924

IUPAC4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol
SMILESOCCCCN[C@H]1[C@H](F)CO[C@@H]1CO
InChIInChI=1S/C9H18FNO3/c10-7-6-14-8(5-13)9(7)11-3-1-2-4-12/h7-9,11-13H,1-6H2/t7-,8-,9+/m1/s1
InChIKeyCUHVKRGNJHUUDF-HLTSFMKQSA-N
MW207.24 g/mol
LogP-0.55
Rot. Bonds6

About 4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol

4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol (PubChem CID 174447924) has the molecular formula C9H18FNO3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol
PubChem CID174447924
Molecular FormulaC9H18FNO3
Molecular Weight207.24 g/mol
Exact Mass207.13
IUPAC Name4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol
SMILESOCCCCN[C@H]1[C@H](F)CO[C@@H]1CO
InChIInChI=1S/C9H18FNO3/c10-7-6-14-8(5-13)9(7)11-3-1-2-4-12/h7-9,11-13H,1-6H2/t7-,8-,9+/m1/s1
InChIKeyCUHVKRGNJHUUDF-HLTSFMKQSA-N
XLogP-0.55
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol?
The IUPAC name of 4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol (CID 174447924) is 4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol is OCCCCN[C@H]1[C@H](F)CO[C@@H]1CO.
What is the InChIKey of 4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol?
The InChIKey is CUHVKRGNJHUUDF-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H18FNO3/c10-7-6-14-8(5-13)9(7)11-3-1-2-4-12/h7-9,11-13H,1-6H2/t7-,8-,9+/m1/s1.
What are the key properties of 4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol?
4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol has a molecular weight of 207.24 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol is sourced from PubChem (CID 174447924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).