2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol

C8H16FNO2 — CID 86614897

IUPAC2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol
SMILESOCCN1CC[C@@H](OCCF)C1
InChIInChI=1S/C8H16FNO2/c9-2-6-12-8-1-3-10(7-8)4-5-11/h8,11H,1-7H2/t8-/m1/s1
InChIKeyLNABYCBVCLIPCR-MRVPVSSYSA-N
MW177.22 g/mol
LogP0.04
Rot. Bonds5

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

2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol (PubChem CID 86614897) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol
PubChem CID86614897
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol
SMILESOCCN1CC[C@@H](OCCF)C1
InChIInChI=1S/C8H16FNO2/c9-2-6-12-8-1-3-10(7-8)4-5-11/h8,11H,1-7H2/t8-/m1/s1
InChIKeyLNABYCBVCLIPCR-MRVPVSSYSA-N
XLogP0.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol (CID 86614897) is 2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol is OCCN1CC[C@@H](OCCF)C1.
What is the InChIKey of 2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol?
The InChIKey is LNABYCBVCLIPCR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16FNO2/c9-2-6-12-8-1-3-10(7-8)4-5-11/h8,11H,1-7H2/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol?
2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol has a molecular weight of 177.22 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-fluoroethoxy)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 86614897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).