3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride

C10H12ClF2NO — CID 86262649

IUPAC3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
SMILESCl.Fc1ccc(OC2CCNC2)c(F)c1
InChIInChI=1S/C10H11F2NO.ClH/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H
InChIKeyIDAYTFYGGSCFDI-UHFFFAOYSA-N
MW235.66 g/mol
LogP2.13
Rot. Bonds2

About 3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride

3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride (PubChem CID 86262649) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
PubChem CID86262649
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
SMILESCl.Fc1ccc(OC2CCNC2)c(F)c1
InChIInChI=1S/C10H11F2NO.ClH/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H
InChIKeyIDAYTFYGGSCFDI-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine
CID 170886572
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
(3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine
CID 122436128
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
(3S)-3-(2,3-difluorophenoxy)pyrrolidine
CID 94987117
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 159690612
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
2-(3-fluoro-4-piperidin-3-yloxyphenyl)ethanol
CID 170887452
3-(2-fluoro-4-methoxyphenoxy)piperidine
CID 84689805
3,5-difluoro-2-pyrrolidin-3-yloxypyridine
CID 67479860

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride?
The IUPAC name of 3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride (CID 86262649) is 3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride is Cl.Fc1ccc(OC2CCNC2)c(F)c1.
What is the InChIKey of 3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride?
The InChIKey is IDAYTFYGGSCFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO.ClH/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H.
What are the key properties of 3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride?
3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride has a molecular weight of 235.66 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 86262649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).