(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine

C11H14FN — CID 58606790

IUPAC(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine
SMILESC[C@@H]1CNCC1c1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-8-6-13-7-11(8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11?/m1/s1
InChIKeyCNQGCIXRLGZDSQ-RZZZFEHKSA-N
MW179.24 g/mol
LogP2.15
Rot. Bonds1

About (4S)-3-(4-fluorophenyl)-4-methylpyrrolidine

(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine (PubChem CID 58606790) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (4S)-3-(4-fluorophenyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine
PubChem CID58606790
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine
SMILESC[C@@H]1CNCC1c1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-8-6-13-7-11(8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11?/m1/s1
InChIKeyCNQGCIXRLGZDSQ-RZZZFEHKSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-fluorophenyl)-4-methylpyrrolidine?
The IUPAC name of (4S)-3-(4-fluorophenyl)-4-methylpyrrolidine (CID 58606790) is (4S)-3-(4-fluorophenyl)-4-methylpyrrolidine.
What is the SMILES notation for (4S)-3-(4-fluorophenyl)-4-methylpyrrolidine?
The canonical SMILES for (4S)-3-(4-fluorophenyl)-4-methylpyrrolidine is C[C@@H]1CNCC1c1ccc(F)cc1.
What is the InChIKey of (4S)-3-(4-fluorophenyl)-4-methylpyrrolidine?
The InChIKey is CNQGCIXRLGZDSQ-RZZZFEHKSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-6-13-7-11(8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11?/m1/s1.
What are the key properties of (4S)-3-(4-fluorophenyl)-4-methylpyrrolidine?
(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine has a molecular weight of 179.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-fluorophenyl)-4-methylpyrrolidine is sourced from PubChem (CID 58606790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).