(3R)-1-(2-fluoroethyl)pyrrolidin-3-ol

C6H12FNO — CID 45087549

IUPAC(3R)-1-(2-fluoroethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCF)C1
InChIInChI=1S/C6H12FNO/c7-2-4-8-3-1-6(9)5-8/h6,9H,1-5H2/t6-/m1/s1
InChIKeyQSIYYVYVUHTKQY-ZCFIWIBFSA-N
MW133.17 g/mol
LogP0.02
Rot. Bonds2

About (3R)-1-(2-fluoroethyl)pyrrolidin-3-ol

(3R)-1-(2-fluoroethyl)pyrrolidin-3-ol (PubChem CID 45087549) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3R)-1-(2-fluoroethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-fluoroethyl)pyrrolidin-3-ol
PubChem CID45087549
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3R)-1-(2-fluoroethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCF)C1
InChIInChI=1S/C6H12FNO/c7-2-4-8-3-1-6(9)5-8/h6,9H,1-5H2/t6-/m1/s1
InChIKeyQSIYYVYVUHTKQY-ZCFIWIBFSA-N
XLogP0.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluoroethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-fluoroethyl)pyrrolidin-3-ol (CID 45087549) is (3R)-1-(2-fluoroethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-fluoroethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-fluoroethyl)pyrrolidin-3-ol is O[C@@H]1CCN(CCF)C1.
What is the InChIKey of (3R)-1-(2-fluoroethyl)pyrrolidin-3-ol?
The InChIKey is QSIYYVYVUHTKQY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12FNO/c7-2-4-8-3-1-6(9)5-8/h6,9H,1-5H2/t6-/m1/s1.
What are the key properties of (3R)-1-(2-fluoroethyl)pyrrolidin-3-ol?
(3R)-1-(2-fluoroethyl)pyrrolidin-3-ol has a molecular weight of 133.17 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluoroethyl)pyrrolidin-3-ol is sourced from PubChem (CID 45087549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).