1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde

C8H12F3NO — CID 84665894

IUPAC1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde
SMILESO=CC1CCN(CCC(F)(F)F)C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)2-4-12-3-1-7(5-12)6-13/h6-7H,1-5H2
InChIKeyUDASRTASRWLLDJ-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.46
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde

1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde (PubChem CID 84665894) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde
PubChem CID84665894
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde
SMILESO=CC1CCN(CCC(F)(F)F)C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)2-4-12-3-1-7(5-12)6-13/h6-7H,1-5H2
InChIKeyUDASRTASRWLLDJ-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde (CID 84665894) is 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde is O=CC1CCN(CCC(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde?
The InChIKey is UDASRTASRWLLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)2-4-12-3-1-7(5-12)6-13/h6-7H,1-5H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde?
1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde has a molecular weight of 195.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carbaldehyde is sourced from PubChem (CID 84665894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).