1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride

C20H24ClF2NO — CID 3024531

IUPAC1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride
SMILESCC(OCCN1CCCC1)(c1ccc(F)cc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C20H23F2NO.ClH/c1-20(16-4-8-18(21)9-5-16,17-6-10-19(22)11-7-17)24-15-14-23-12-2-3-13-23;/h4-11H,2-3,12-15H2,1H3;1H
InChIKeyYXDHELOQWYVUFA-UHFFFAOYSA-N
MW367.87 g/mol
LogP4.76
Rot. Bonds6

About 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride

1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride (PubChem CID 3024531) has the molecular formula C20H24ClF2NO and a molecular weight of 367.87 g/mol. Its IUPAC name is 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride
PubChem CID3024531
Molecular FormulaC20H24ClF2NO
Molecular Weight367.87 g/mol
Exact Mass367.15
IUPAC Name1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride
SMILESCC(OCCN1CCCC1)(c1ccc(F)cc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C20H23F2NO.ClH/c1-20(16-4-8-18(21)9-5-16,17-6-10-19(22)11-7-17)24-15-14-23-12-2-3-13-23;/h4-11H,2-3,12-15H2,1H3;1H
InChIKeyYXDHELOQWYVUFA-UHFFFAOYSA-N
XLogP4.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride (CID 3024531) is 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride is CC(OCCN1CCCC1)(c1ccc(F)cc1)c1ccc(F)cc1.Cl.
What is the InChIKey of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride?
The InChIKey is YXDHELOQWYVUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO.ClH/c1-20(16-4-8-18(21)9-5-16,17-6-10-19(22)11-7-17)24-15-14-23-12-2-3-13-23;/h4-11H,2-3,12-15H2,1H3;1H.
What are the key properties of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride?
1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride has a molecular weight of 367.87 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 3024531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).