1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol

C5H10FNO2 — CID 172680416

IUPAC1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol
SMILESOCC1CC(O)N(F)C1
InChIInChI=1S/C5H10FNO2/c6-7-2-4(3-8)1-5(7)9/h4-5,8-9H,1-3H2
InChIKeyAHYCTNVIMLVRSL-UHFFFAOYSA-N
MW135.14 g/mol
LogP-0.50
Rot. Bonds1

About 1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol

1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol (PubChem CID 172680416) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is 1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol.

Molecular Properties

Compound Name1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol
PubChem CID172680416
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol
SMILESOCC1CC(O)N(F)C1
InChIInChI=1S/C5H10FNO2/c6-7-2-4(3-8)1-5(7)9/h4-5,8-9H,1-3H2
InChIKeyAHYCTNVIMLVRSL-UHFFFAOYSA-N
XLogP-0.50
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-Methylpyrrolidin-3-yl)methanol
CID 295970
(1-Ethylpyrrolidin-3-yl)methanol
CID 21702849
(S)-(1-Methylpyrrolidin-3-YL)methanol
CID 38988801
[cis-4-Fluoro-1-methyl-pyrrolidin-3-yl]methanol
CID 105530050
((3R,4S)-4-Fluoro-1-methylpyrrolidin-3-yl)methanol
CID 105531136
((3S,4R)-4-Fluoro-1-methylpyrrolidin-3-yl)methanol
CID 147748171
rel-((3R,4R)-4-Fluoro-1-methylpyrrolidin-3-yl)methanol
CID 170903721
1-Fluoropyrrolidin-2-ol
CID 174911437
[1-(2-Fluoroethyl)pyrrolidin-3-yl]methanol
CID 80695796
[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
CID 105531366
[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]methanol
CID 131041519
[(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol
CID 146629246

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol?
The IUPAC name of 1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol (CID 172680416) is 1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol.
What is the SMILES notation for 1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol?
The canonical SMILES for 1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol is OCC1CC(O)N(F)C1.
What is the InChIKey of 1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol?
The InChIKey is AHYCTNVIMLVRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c6-7-2-4(3-8)1-5(7)9/h4-5,8-9H,1-3H2.
What are the key properties of 1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol?
1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol has a molecular weight of 135.14 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(hydroxymethyl)pyrrolidin-2-ol is sourced from PubChem (CID 172680416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).