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

C12H16FNO — CID 115070515

IUPAC3-[2-(3-fluorophenyl)ethoxy]pyrrolidine
SMILESFc1cccc(CCOC2CCNC2)c1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)5-7-15-12-4-6-14-9-12/h1-3,8,12,14H,4-7,9H2
InChIKeyZAZQTKZFNSXTBZ-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.75
Rot. Bonds4

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

3-[2-(3-fluorophenyl)ethoxy]pyrrolidine (PubChem CID 115070515) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethoxy]pyrrolidine.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethoxy]pyrrolidine
PubChem CID115070515
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-[2-(3-fluorophenyl)ethoxy]pyrrolidine
SMILESFc1cccc(CCOC2CCNC2)c1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)5-7-15-12-4-6-14-9-12/h1-3,8,12,14H,4-7,9H2
InChIKeyZAZQTKZFNSXTBZ-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]pyrrolidine
CID 115070535
4-[2-(3-bromophenyl)ethoxy]piperidine
CID 115070549
4-(2-pyrrolidin-3-yloxyethyl)pyridine
CID 62328437
3-[2-(4-fluorophenyl)ethoxy]azetidine
CID 115070498
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
3-(2-thiophen-2-ylethoxy)pyrrolidine
CID 62327416
(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
CID 26191874
3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine
CID 79702337
3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
CID 45075467
2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol
CID 68923378
2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol
CID 68923382

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethoxy]pyrrolidine?
The IUPAC name of 3-[2-(3-fluorophenyl)ethoxy]pyrrolidine (CID 115070515) is 3-[2-(3-fluorophenyl)ethoxy]pyrrolidine.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethoxy]pyrrolidine?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethoxy]pyrrolidine is Fc1cccc(CCOC2CCNC2)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethoxy]pyrrolidine?
The InChIKey is ZAZQTKZFNSXTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)5-7-15-12-4-6-14-9-12/h1-3,8,12,14H,4-7,9H2.
What are the key properties of 3-[2-(3-fluorophenyl)ethoxy]pyrrolidine?
3-[2-(3-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-(3-fluorophenyl)ethoxy]pyrrolidine is sourced from PubChem (CID 115070515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).