(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine

C13H18FN — CID 166826823

IUPAC(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN/c1-10(2)15-8-7-12(9-15)11-3-5-13(14)6-4-11/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyNVYQDJPIYXZPSG-GFCCVEGCSA-N
MW207.29 g/mol
LogP3.02
Rot. Bonds2

About (3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine

(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine (PubChem CID 166826823) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
PubChem CID166826823
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN/c1-10(2)15-8-7-12(9-15)11-3-5-13(14)6-4-11/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyNVYQDJPIYXZPSG-GFCCVEGCSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine (CID 166826823) is (3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine is CC(C)N1CC[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine?
The InChIKey is NVYQDJPIYXZPSG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18FN/c1-10(2)15-8-7-12(9-15)11-3-5-13(14)6-4-11/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine?
(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 166826823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).