1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol

C20H23F2NO2 — CID 22441845

IUPAC1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol
SMILESOC1CCN(CCOc2ccc(F)cc2CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H23F2NO2/c21-17-5-2-15(3-6-17)1-4-16-13-18(22)7-8-20(16)25-12-11-23-10-9-19(24)14-23/h2-3,5-8,13,19,24H,1,4,9-12,14H2
InChIKeyMEWNOEVXWFOHCM-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.20
Rot. Bonds7

About 1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol

1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol (PubChem CID 22441845) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol
PubChem CID22441845
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol
SMILESOC1CCN(CCOc2ccc(F)cc2CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H23F2NO2/c21-17-5-2-15(3-6-17)1-4-16-13-18(22)7-8-20(16)25-12-11-23-10-9-19(24)14-23/h2-3,5-8,13,19,24H,1,4,9-12,14H2
InChIKeyMEWNOEVXWFOHCM-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride
CID 67660130
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol
CID 39358873
(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol
CID 78963291
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
(3R,5R)-5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol;hydrochloride
CID 67584157
1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine
CID 139743344
1-[4-[2-[2-(4-fluorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid
CID 12852626
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol
CID 111434356
1-[2-(4-aminophenyl)ethyl]pyrrolidin-3-ol
CID 62941498

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol (CID 22441845) is 1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol is OC1CCN(CCOc2ccc(F)cc2CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol?
The InChIKey is MEWNOEVXWFOHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c21-17-5-2-15(3-6-17)1-4-16-13-18(22)7-8-20(16)25-12-11-23-10-9-19(24)14-23/h2-3,5-8,13,19,24H,1,4,9-12,14H2.
What are the key properties of 1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol?
1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol has a molecular weight of 347.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 22441845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).