(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol

C12H16FNO2 — CID 78963291

IUPAC(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCOc2ccccc2F)C1
InChIInChI=1S/C12H16FNO2/c13-11-3-1-2-4-12(11)16-8-7-14-6-5-10(15)9-14/h1-4,10,15H,5-9H2/t10-/m1/s1
InChIKeyNBKOMNKLICYSOR-SNVBAGLBSA-N
MW225.26 g/mol
LogP1.27
Rot. Bonds4

About (3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol

(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol (PubChem CID 78963291) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol
PubChem CID78963291
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCOc2ccccc2F)C1
InChIInChI=1S/C12H16FNO2/c13-11-3-1-2-4-12(11)16-8-7-14-6-5-10(15)9-14/h1-4,10,15H,5-9H2/t10-/m1/s1
InChIKeyNBKOMNKLICYSOR-SNVBAGLBSA-N
XLogP1.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 94918445
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904523
methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate
CID 113224746
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol
CID 39358873
1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride
CID 67660130
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
CID 110910733
1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol
CID 22441845
1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62941183
2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64618532
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375
1-[2-(2-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046317
N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 27107038

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol (CID 78963291) is (3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol is O[C@@H]1CCN(CCOc2ccccc2F)C1.
What is the InChIKey of (3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol?
The InChIKey is NBKOMNKLICYSOR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-11-3-1-2-4-12(11)16-8-7-14-6-5-10(15)9-14/h1-4,10,15H,5-9H2/t10-/m1/s1.
What are the key properties of (3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol?
(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol has a molecular weight of 225.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 78963291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).