(3S)-3-fluoropyrrolidine-1-carbaldehyde

C5H8FNO — CID 118450648

IUPAC(3S)-3-fluoropyrrolidine-1-carbaldehyde
SMILESO=CN1CC[C@H](F)C1
InChIInChI=1S/C5H8FNO/c6-5-1-2-7(3-5)4-8/h4-5H,1-3H2/t5-/m0/s1
InChIKeyAJPGSXUUJRFUFX-YFKPBYRVSA-N
MW117.12 g/mol
LogP0.19
Rot. Bonds1

About (3S)-3-fluoropyrrolidine-1-carbaldehyde

(3S)-3-fluoropyrrolidine-1-carbaldehyde (PubChem CID 118450648) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (3S)-3-fluoropyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name(3S)-3-fluoropyrrolidine-1-carbaldehyde
PubChem CID118450648
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(3S)-3-fluoropyrrolidine-1-carbaldehyde
SMILESO=CN1CC[C@H](F)C1
InChIInChI=1S/C5H8FNO/c6-5-1-2-7(3-5)4-8/h4-5H,1-3H2/t5-/m0/s1
InChIKeyAJPGSXUUJRFUFX-YFKPBYRVSA-N
XLogP0.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.19
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 (3S)-3-fluoropyrrolidine-1-carbaldehyde?
The IUPAC name of (3S)-3-fluoropyrrolidine-1-carbaldehyde (CID 118450648) is (3S)-3-fluoropyrrolidine-1-carbaldehyde.
What is the SMILES notation for (3S)-3-fluoropyrrolidine-1-carbaldehyde?
The canonical SMILES for (3S)-3-fluoropyrrolidine-1-carbaldehyde is O=CN1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoropyrrolidine-1-carbaldehyde?
The InChIKey is AJPGSXUUJRFUFX-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8FNO/c6-5-1-2-7(3-5)4-8/h4-5H,1-3H2/t5-/m0/s1.
What are the key properties of (3S)-3-fluoropyrrolidine-1-carbaldehyde?
(3S)-3-fluoropyrrolidine-1-carbaldehyde has a molecular weight of 117.12 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoropyrrolidine-1-carbaldehyde is sourced from PubChem (CID 118450648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).