3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine

C17H24FNO — CID 130297112

IUPAC3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine
SMILESCC1(COc2ccc(F)cc2C2CCCC2)CCNC1
InChIInChI=1S/C17H24FNO/c1-17(8-9-19-11-17)12-20-16-7-6-14(18)10-15(16)13-4-2-3-5-13/h6-7,10,13,19H,2-5,8-9,11-12H2,1H3
InChIKeyOPFLNDMGJLXSQW-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.86
Rot. Bonds4

About 3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine

3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine (PubChem CID 130297112) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine
PubChem CID130297112
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine
SMILESCC1(COc2ccc(F)cc2C2CCCC2)CCNC1
InChIInChI=1S/C17H24FNO/c1-17(8-9-19-11-17)12-20-16-7-6-14(18)10-15(16)13-4-2-3-5-13/h6-7,10,13,19H,2-5,8-9,11-12H2,1H3
InChIKeyOPFLNDMGJLXSQW-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine?
The IUPAC name of 3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine (CID 130297112) is 3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine.
What is the SMILES notation for 3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine?
The canonical SMILES for 3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine is CC1(COc2ccc(F)cc2C2CCCC2)CCNC1.
What is the InChIKey of 3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine?
The InChIKey is OPFLNDMGJLXSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-17(8-9-19-11-17)12-20-16-7-6-14(18)10-15(16)13-4-2-3-5-13/h6-7,10,13,19H,2-5,8-9,11-12H2,1H3.
What are the key properties of 3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine?
3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine has a molecular weight of 277.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine is sourced from PubChem (CID 130297112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).