1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine

C15H22FN — CID 167663037

IUPAC1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine
SMILESCC1(F)CCN(c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C15H22FN/c1-14(2,3)12-7-5-6-8-13(12)17-10-9-15(4,16)11-17/h5-8H,9-11H2,1-4H3
InChIKeyVMININXHHNLCFJ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.92
Rot. Bonds1

About 1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine

1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine (PubChem CID 167663037) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine
PubChem CID167663037
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine
SMILESCC1(F)CCN(c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C15H22FN/c1-14(2,3)12-7-5-6-8-13(12)17-10-9-15(4,16)11-17/h5-8H,9-11H2,1-4H3
InChIKeyVMININXHHNLCFJ-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine 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 1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine?
The IUPAC name of 1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine (CID 167663037) is 1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine is CC1(F)CCN(c2ccccc2C(C)(C)C)C1.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine?
The InChIKey is VMININXHHNLCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-14(2,3)12-7-5-6-8-13(12)17-10-9-15(4,16)11-17/h5-8H,9-11H2,1-4H3.
What are the key properties of 1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine?
1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine has a molecular weight of 235.35 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine is sourced from PubChem (CID 167663037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).