2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine

C15H22FNO — CID 82769205

IUPAC2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(F)cc1C1(C(C)(C)C)CCCN1
InChIInChI=1S/C15H22FNO/c1-14(2,3)15(8-5-9-17-15)12-10-11(16)6-7-13(12)18-4/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyKJTXSPKUFJEZQS-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.46
Rot. Bonds2

About 2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine

2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine (PubChem CID 82769205) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
PubChem CID82769205
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(F)cc1C1(C(C)(C)C)CCCN1
InChIInChI=1S/C15H22FNO/c1-14(2,3)15(8-5-9-17-15)12-10-11(16)6-7-13(12)18-4/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyKJTXSPKUFJEZQS-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine (CID 82769205) is 2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine is COc1ccc(F)cc1C1(C(C)(C)C)CCCN1.
What is the InChIKey of 2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The InChIKey is KJTXSPKUFJEZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-14(2,3)15(8-5-9-17-15)12-10-11(16)6-7-13(12)18-4/h6-7,10,17H,5,8-9H2,1-4H3.
What are the key properties of 2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine has a molecular weight of 251.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(5-fluoro-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 82769205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).