3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine

C26H30FNO2 — CID 162430350

IUPAC3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine
SMILESCCOCC1(CCc2ccc(F)cc2)CCN(Cc2ccccc2-c2ccco2)C1
InChIInChI=1S/C26H30FNO2/c1-2-29-20-26(14-13-21-9-11-23(27)12-10-21)15-16-28(19-26)18-22-6-3-4-7-24(22)25-8-5-17-30-25/h3-12,17H,2,13-16,18-20H2,1H3
InChIKeyYVLCLPOFTPUKFR-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.95
Rot. Bonds9

About 3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine

3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine (PubChem CID 162430350) has the molecular formula C26H30FNO2 and a molecular weight of 407.53 g/mol. Its IUPAC name is 3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine
PubChem CID162430350
Molecular FormulaC26H30FNO2
Molecular Weight407.53 g/mol
Exact Mass407.23
IUPAC Name3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine
SMILESCCOCC1(CCc2ccc(F)cc2)CCN(Cc2ccccc2-c2ccco2)C1
InChIInChI=1S/C26H30FNO2/c1-2-29-20-26(14-13-21-9-11-23(27)12-10-21)15-16-28(19-26)18-22-6-3-4-7-24(22)25-8-5-17-30-25/h3-12,17H,2,13-16,18-20H2,1H3
InChIKeyYVLCLPOFTPUKFR-UHFFFAOYSA-N
XLogP5.95
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine?
The IUPAC name of 3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine (CID 162430350) is 3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine is CCOCC1(CCc2ccc(F)cc2)CCN(Cc2ccccc2-c2ccco2)C1.
What is the InChIKey of 3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine?
The InChIKey is YVLCLPOFTPUKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FNO2/c1-2-29-20-26(14-13-21-9-11-23(27)12-10-21)15-16-28(19-26)18-22-6-3-4-7-24(22)25-8-5-17-30-25/h3-12,17H,2,13-16,18-20H2,1H3.
What are the key properties of 3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine?
3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine has a molecular weight of 407.53 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 162430350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).