(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde

C11H12FNO — CID 124501094

IUPAC(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c12-10-5-3-9(4-6-10)11-2-1-7-13(11)8-14/h3-6,8,11H,1-2,7H2/t11-/m1/s1
InChIKeyNQTWAPPUGHHOOE-LLVKDONJSA-N
MW193.22 g/mol
LogP2.12
Rot. Bonds2

About (2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde

(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde (PubChem CID 124501094) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
PubChem CID124501094
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c12-10-5-3-9(4-6-10)11-2-1-7-13(11)8-14/h3-6,8,11H,1-2,7H2/t11-/m1/s1
InChIKeyNQTWAPPUGHHOOE-LLVKDONJSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of (2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde (CID 124501094) is (2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for (2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde is O=CN1CCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde?
The InChIKey is NQTWAPPUGHHOOE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12FNO/c12-10-5-3-9(4-6-10)11-2-1-7-13(11)8-14/h3-6,8,11H,1-2,7H2/t11-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde?
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde has a molecular weight of 193.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 124501094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).