(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine

C18H20FNO2 — CID 178065004

IUPAC(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
SMILESF[C@@H]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C18H20FNO2/c19-15-10-11-20(14-15)12-13-21-16-6-8-18(9-7-16)22-17-4-2-1-3-5-17/h1-9,15H,10-14H2/t15-/m1/s1
InChIKeyBKJYVFUEYKAYGE-OAHLLOKOSA-N
MW301.36 g/mol
LogP3.90
Rot. Bonds6

About (3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine

(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine (PubChem CID 178065004) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
PubChem CID178065004
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
SMILESF[C@@H]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C18H20FNO2/c19-15-10-11-20(14-15)12-13-21-16-6-8-18(9-7-16)22-17-4-2-1-3-5-17/h1-9,15H,10-14H2/t15-/m1/s1
InChIKeyBKJYVFUEYKAYGE-OAHLLOKOSA-N
XLogP3.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 77441688
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[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
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(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
1,4-bis(2-phenoxyethyl)-1,4-diazepane
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1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
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(3S,4R)-4-(hydroxymethyl)-1-(4-phenoxybutyl)piperidin-3-ol
CID 155510034
1-[2-[4-(hydroxymethyl)phenoxy]ethyl]pyrrolidin-3-ol;trifluoromethoxybenzene
CID 145415282
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine?
The IUPAC name of (3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine (CID 178065004) is (3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for (3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine?
The canonical SMILES for (3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine is F[C@@H]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of (3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine?
The InChIKey is BKJYVFUEYKAYGE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-15-10-11-20(14-15)12-13-21-16-6-8-18(9-7-16)22-17-4-2-1-3-5-17/h1-9,15H,10-14H2/t15-/m1/s1.
What are the key properties of (3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine?
(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine has a molecular weight of 301.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 178065004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).