(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine

C12H16FN — CID 124671045

IUPAC(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine
SMILESCC1(C)CNC[C@H]1c1ccccc1F
InChIInChI=1S/C12H16FN/c1-12(2)8-14-7-10(12)9-5-3-4-6-11(9)13/h3-6,10,14H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyFLZGNBLMORKILV-JTQLQIEISA-N
MW193.27 g/mol
LogP2.54
Rot. Bonds1

About (4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine

(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine (PubChem CID 124671045) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is (4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine
PubChem CID124671045
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine
SMILESCC1(C)CNC[C@H]1c1ccccc1F
InChIInChI=1S/C12H16FN/c1-12(2)8-14-7-10(12)9-5-3-4-6-11(9)13/h3-6,10,14H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyFLZGNBLMORKILV-JTQLQIEISA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine?
The IUPAC name of (4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine (CID 124671045) is (4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine.
What is the SMILES notation for (4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine?
The canonical SMILES for (4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine is CC1(C)CNC[C@H]1c1ccccc1F.
What is the InChIKey of (4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine?
The InChIKey is FLZGNBLMORKILV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16FN/c1-12(2)8-14-7-10(12)9-5-3-4-6-11(9)13/h3-6,10,14H,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine?
(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine is sourced from PubChem (CID 124671045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).