1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine

C15H21ClFNO2 — CID 66870915

IUPAC1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)OCC(Oc1cccc(F)c1Cl)N1CCCC1
InChIInChI=1S/C15H21ClFNO2/c1-11(2)19-10-14(18-8-3-4-9-18)20-13-7-5-6-12(17)15(13)16/h5-7,11,14H,3-4,8-10H2,1-2H3
InChIKeyLKRAHFIFJYMALS-UHFFFAOYSA-N
MW301.79 g/mol
LogP3.70
Rot. Bonds6

About 1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine

1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine (PubChem CID 66870915) has the molecular formula C15H21ClFNO2 and a molecular weight of 301.79 g/mol. Its IUPAC name is 1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine
PubChem CID66870915
Molecular FormulaC15H21ClFNO2
Molecular Weight301.79 g/mol
Exact Mass301.12
IUPAC Name1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)OCC(Oc1cccc(F)c1Cl)N1CCCC1
InChIInChI=1S/C15H21ClFNO2/c1-11(2)19-10-14(18-8-3-4-9-18)20-13-7-5-6-12(17)15(13)16/h5-7,11,14H,3-4,8-10H2,1-2H3
InChIKeyLKRAHFIFJYMALS-UHFFFAOYSA-N
XLogP3.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine
CID 139472444
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 3701376
1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 82299762
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-cyclopropylpropanamide
CID 110623996
1-(1-bromoethoxy)-2,3-dichlorobenzene
CID 67903309
4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine
CID 91255595
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634810
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110623998
1-[2-(aminomethyl)-3-fluorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988415
2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 62451787
1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol
CID 78832763

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of 1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine (CID 66870915) is 1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for 1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine is CC(C)OCC(Oc1cccc(F)c1Cl)N1CCCC1.
What is the InChIKey of 1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is LKRAHFIFJYMALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO2/c1-11(2)19-10-14(18-8-3-4-9-18)20-13-7-5-6-12(17)15(13)16/h5-7,11,14H,3-4,8-10H2,1-2H3.
What are the key properties of 1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine?
1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine has a molecular weight of 301.79 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 66870915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).