1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine

C18H26FNO2 — CID 155992523

IUPAC1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine
SMILESCOC1(COc2ccc(F)cc2)CCN(C2CCCCC2)C1
InChIInChI=1S/C18H26FNO2/c1-21-18(14-22-17-9-7-15(19)8-10-17)11-12-20(13-18)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyHWGAFQNILROONZ-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.63
Rot. Bonds5

About 1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine

1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine (PubChem CID 155992523) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine
PubChem CID155992523
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine
SMILESCOC1(COc2ccc(F)cc2)CCN(C2CCCCC2)C1
InChIInChI=1S/C18H26FNO2/c1-21-18(14-22-17-9-7-15(19)8-10-17)11-12-20(13-18)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyHWGAFQNILROONZ-UHFFFAOYSA-N
XLogP3.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine?
The IUPAC name of 1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine (CID 155992523) is 1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine.
What is the SMILES notation for 1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine?
The canonical SMILES for 1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine is COC1(COc2ccc(F)cc2)CCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine?
The InChIKey is HWGAFQNILROONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-21-18(14-22-17-9-7-15(19)8-10-17)11-12-20(13-18)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3.
What are the key properties of 1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine?
1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine has a molecular weight of 307.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine is sourced from PubChem (CID 155992523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).