2-(4-fluoropyrrolidin-3-yl)ethanol

C6H12FNO — CID 67769752

IUPAC2-(4-fluoropyrrolidin-3-yl)ethanol
SMILESOCCC1CNCC1F
InChIInChI=1S/C6H12FNO/c7-6-4-8-3-5(6)1-2-9/h5-6,8-9H,1-4H2
InChIKeyMTMPOZTVTRBMCO-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.07
Rot. Bonds2

About 2-(4-fluoropyrrolidin-3-yl)ethanol

2-(4-fluoropyrrolidin-3-yl)ethanol (PubChem CID 67769752) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-(4-fluoropyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluoropyrrolidin-3-yl)ethanol
PubChem CID67769752
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-(4-fluoropyrrolidin-3-yl)ethanol
SMILESOCCC1CNCC1F
InChIInChI=1S/C6H12FNO/c7-6-4-8-3-5(6)1-2-9/h5-6,8-9H,1-4H2
InChIKeyMTMPOZTVTRBMCO-UHFFFAOYSA-N
XLogP-0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(4-fluoropyrrolidin-3-yl)ethanol (CID 67769752) is 2-(4-fluoropyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(4-fluoropyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(4-fluoropyrrolidin-3-yl)ethanol is OCCC1CNCC1F.
What is the InChIKey of 2-(4-fluoropyrrolidin-3-yl)ethanol?
The InChIKey is MTMPOZTVTRBMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-6-4-8-3-5(6)1-2-9/h5-6,8-9H,1-4H2.
What are the key properties of 2-(4-fluoropyrrolidin-3-yl)ethanol?
2-(4-fluoropyrrolidin-3-yl)ethanol has a molecular weight of 133.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropyrrolidin-3-yl)ethanol is sourced from PubChem (CID 67769752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).