1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine

C17H26FNO — CID 166925370

IUPAC1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1CCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-17(2,14-6-8-15(18)9-7-14)10-12-19-11-4-5-16(19)13-20-3/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyXQYJBCCXMDPTTF-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.60
Rot. Bonds6

About 1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine

1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine (PubChem CID 166925370) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine
PubChem CID166925370
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1CCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-17(2,14-6-8-15(18)9-7-14)10-12-19-11-4-5-16(19)13-20-3/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyXQYJBCCXMDPTTF-UHFFFAOYSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine (CID 166925370) is 1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine is COCC1CCCN1CCC(C)(C)c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine?
The InChIKey is XQYJBCCXMDPTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-17(2,14-6-8-15(18)9-7-14)10-12-19-11-4-5-16(19)13-20-3/h6-9,16H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine?
1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine has a molecular weight of 279.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 166925370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).