4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine

C13H18FN — CID 117269758

IUPAC4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine
SMILESCC1(C)CC(Cc2cccc(F)c2)CN1
InChIInChI=1S/C13H18FN/c1-13(2)8-11(9-15-13)6-10-4-3-5-12(14)7-10/h3-5,7,11,15H,6,8-9H2,1-2H3
InChIKeyZJGBECPKVFPVPC-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.76
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine

4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine (PubChem CID 117269758) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine
PubChem CID117269758
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine
SMILESCC1(C)CC(Cc2cccc(F)c2)CN1
InChIInChI=1S/C13H18FN/c1-13(2)8-11(9-15-13)6-10-4-3-5-12(14)7-10/h3-5,7,11,15H,6,8-9H2,1-2H3
InChIKeyZJGBECPKVFPVPC-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine (CID 117269758) is 4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine is CC1(C)CC(Cc2cccc(F)c2)CN1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine?
The InChIKey is ZJGBECPKVFPVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-13(2)8-11(9-15-13)6-10-4-3-5-12(14)7-10/h3-5,7,11,15H,6,8-9H2,1-2H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine?
4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine is sourced from PubChem (CID 117269758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).