2-fluoropyrrolidine-1-carbaldehyde

C5H8FNO — CID 87193274

IUPAC2-fluoropyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1F
InChIInChI=1S/C5H8FNO/c6-5-2-1-3-7(5)4-8/h4-5H,1-3H2
InChIKeyYNAGCNCVAJBSCP-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.53
Rot. Bonds1

About 2-fluoropyrrolidine-1-carbaldehyde

2-fluoropyrrolidine-1-carbaldehyde (PubChem CID 87193274) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 2-fluoropyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-fluoropyrrolidine-1-carbaldehyde
PubChem CID87193274
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name2-fluoropyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1F
InChIInChI=1S/C5H8FNO/c6-5-2-1-3-7(5)4-8/h4-5H,1-3H2
InChIKeyYNAGCNCVAJBSCP-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropyrrolidine-1-carbaldehyde?
The IUPAC name of 2-fluoropyrrolidine-1-carbaldehyde (CID 87193274) is 2-fluoropyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-fluoropyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-fluoropyrrolidine-1-carbaldehyde is O=CN1CCCC1F.
What is the InChIKey of 2-fluoropyrrolidine-1-carbaldehyde?
The InChIKey is YNAGCNCVAJBSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c6-5-2-1-3-7(5)4-8/h4-5H,1-3H2.
What are the key properties of 2-fluoropyrrolidine-1-carbaldehyde?
2-fluoropyrrolidine-1-carbaldehyde has a molecular weight of 117.12 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyrrolidine-1-carbaldehyde is sourced from PubChem (CID 87193274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).