3-[2-(4-fluorophenyl)ethoxy]pyrrolidine

C12H16FNO — CID 115070535

IUPAC3-[2-(4-fluorophenyl)ethoxy]pyrrolidine
SMILESFc1ccc(CCOC2CCNC2)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)6-8-15-12-5-7-14-9-12/h1-4,12,14H,5-9H2
InChIKeyWATLSTGAHQJUSM-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.75
Rot. Bonds4

About 3-[2-(4-fluorophenyl)ethoxy]pyrrolidine

3-[2-(4-fluorophenyl)ethoxy]pyrrolidine (PubChem CID 115070535) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethoxy]pyrrolidine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethoxy]pyrrolidine
PubChem CID115070535
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-[2-(4-fluorophenyl)ethoxy]pyrrolidine
SMILESFc1ccc(CCOC2CCNC2)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)6-8-15-12-5-7-14-9-12/h1-4,12,14H,5-9H2
InChIKeyWATLSTGAHQJUSM-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-fluorophenyl)ethoxy]azetidine
CID 115070498
3-[2-(3-fluorophenyl)ethoxy]pyrrolidine
CID 115070515
4-(2-pyrrolidin-3-yloxyethyl)pyridine
CID 62328437
1-methyl-4-(2-pyrrolidin-3-yloxyethyl)pyrazole
CID 103004028
3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 115070494
3-(2-thiophen-2-ylethoxy)pyrrolidine
CID 62327416
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
3-[2-(4-fluorophenyl)ethoxymethyl]piperidine
CID 45074936
3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409439
(3R)-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 82955468
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethoxy]pyrrolidine?
The IUPAC name of 3-[2-(4-fluorophenyl)ethoxy]pyrrolidine (CID 115070535) is 3-[2-(4-fluorophenyl)ethoxy]pyrrolidine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethoxy]pyrrolidine?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethoxy]pyrrolidine is Fc1ccc(CCOC2CCNC2)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethoxy]pyrrolidine?
The InChIKey is WATLSTGAHQJUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)6-8-15-12-5-7-14-9-12/h1-4,12,14H,5-9H2.
What are the key properties of 3-[2-(4-fluorophenyl)ethoxy]pyrrolidine?
3-[2-(4-fluorophenyl)ethoxy]pyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethoxy]pyrrolidine is sourced from PubChem (CID 115070535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).