(3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol

C11H24FNO2Si — CID 90340535

IUPAC(3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol
SMILESCCC(F)C[Si](C)(C)OCN1CC[C@@H](O)C1
InChIInChI=1S/C11H24FNO2Si/c1-4-10(12)8-16(2,3)15-9-13-6-5-11(14)7-13/h10-11,14H,4-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyCHNHUDKBNBHANV-RRKGBCIJSA-N
MW249.40 g/mol
LogP1.98
Rot. Bonds6

About (3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol

(3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol (PubChem CID 90340535) has the molecular formula C11H24FNO2Si and a molecular weight of 249.40 g/mol. Its IUPAC name is (3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol
PubChem CID90340535
Molecular FormulaC11H24FNO2Si
Molecular Weight249.40 g/mol
Exact Mass249.16
IUPAC Name(3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol
SMILESCCC(F)C[Si](C)(C)OCN1CC[C@@H](O)C1
InChIInChI=1S/C11H24FNO2Si/c1-4-10(12)8-16(2,3)15-9-13-6-5-11(14)7-13/h10-11,14H,4-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyCHNHUDKBNBHANV-RRKGBCIJSA-N
XLogP1.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol (CID 90340535) is (3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol is CCC(F)C[Si](C)(C)OCN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol?
The InChIKey is CHNHUDKBNBHANV-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H24FNO2Si/c1-4-10(12)8-16(2,3)15-9-13-6-5-11(14)7-13/h10-11,14H,4-9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of (3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol?
(3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol has a molecular weight of 249.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol is sourced from PubChem (CID 90340535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).