2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol

C6H12FNO — CID 45087536

IUPAC2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol
SMILESOCCN1CC[C@@H](F)C1
InChIInChI=1S/C6H12FNO/c7-6-1-2-8(5-6)3-4-9/h6,9H,1-5H2/t6-/m1/s1
InChIKeyCROKWOXDQWOKCV-ZCFIWIBFSA-N
MW133.17 g/mol
LogP0.02
Rot. Bonds2

About 2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol

2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol (PubChem CID 45087536) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol
PubChem CID45087536
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol
SMILESOCCN1CC[C@@H](F)C1
InChIInChI=1S/C6H12FNO/c7-6-1-2-8(5-6)3-4-9/h6,9H,1-5H2/t6-/m1/s1
InChIKeyCROKWOXDQWOKCV-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 2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol (CID 45087536) is 2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol is OCCN1CC[C@@H](F)C1.
What is the InChIKey of 2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol?
The InChIKey is CROKWOXDQWOKCV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12FNO/c7-6-1-2-8(5-6)3-4-9/h6,9H,1-5H2/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol?
2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol 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 2-[(3R)-3-fluoropyrrolidin-1-yl]ethanol is sourced from PubChem (CID 45087536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).