(2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium

C11H15FN+ — CID 7047956

IUPAC(2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium
SMILESFc1ccccc1C[C@H]1CCC[NH2+]1
InChIInChI=1S/C11H14FN/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-2,4,6,10,13H,3,5,7-8H2/p+1/t10-/m1/s1
InChIKeyQCUXMVRXZZBSCE-SNVBAGLBSA-O
MW180.25 g/mol
LogP1.09
Rot. Bonds2

About (2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium

(2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium (PubChem CID 7047956) has the molecular formula C11H15FN+ and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium.

Molecular Properties

Compound Name(2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium
PubChem CID7047956
Molecular FormulaC11H15FN+
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium
SMILESFc1ccccc1C[C@H]1CCC[NH2+]1
InChIInChI=1S/C11H14FN/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-2,4,6,10,13H,3,5,7-8H2/p+1/t10-/m1/s1
InChIKeyQCUXMVRXZZBSCE-SNVBAGLBSA-O
XLogP1.09
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium?
The IUPAC name of (2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium (CID 7047956) is (2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium.
What is the SMILES notation for (2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium?
The canonical SMILES for (2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium is Fc1ccccc1C[C@H]1CCC[NH2+]1.
What is the InChIKey of (2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium?
The InChIKey is QCUXMVRXZZBSCE-SNVBAGLBSA-O. The full InChI is InChI=1S/C11H14FN/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-2,4,6,10,13H,3,5,7-8H2/p+1/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium?
(2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium has a molecular weight of 180.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium is sourced from PubChem (CID 7047956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).