3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde

C10H16FNO2 — CID 164651215

IUPAC3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCC(F)C2)CCOC1
InChIInChI=1S/C10H16FNO2/c11-9-1-3-12(5-9)6-10(7-13)2-4-14-8-10/h7,9H,1-6,8H2
InChIKeyMADHPECYDLMELP-UHFFFAOYSA-N
MW201.24 g/mol
LogP0.64
Rot. Bonds3

About 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde

3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde (PubChem CID 164651215) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde
PubChem CID164651215
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCC(F)C2)CCOC1
InChIInChI=1S/C10H16FNO2/c11-9-1-3-12(5-9)6-10(7-13)2-4-14-8-10/h7,9H,1-6,8H2
InChIKeyMADHPECYDLMELP-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde (CID 164651215) is 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde is O=CC1(CN2CCC(F)C2)CCOC1.
What is the InChIKey of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde?
The InChIKey is MADHPECYDLMELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-9-1-3-12(5-9)6-10(7-13)2-4-14-8-10/h7,9H,1-6,8H2.
What are the key properties of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde?
3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde has a molecular weight of 201.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 164651215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).