1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde

C7H10F3NO — CID 84657695

IUPAC1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde
SMILESO=CC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)5-11-2-1-6(3-11)4-12/h4,6H,1-3,5H2
InChIKeyVLIKSGPLYUYDJD-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.07
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde

1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde (PubChem CID 84657695) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde
PubChem CID84657695
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde
SMILESO=CC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)5-11-2-1-6(3-11)4-12/h4,6H,1-3,5H2
InChIKeyVLIKSGPLYUYDJD-UHFFFAOYSA-N
XLogP1.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.07
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-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde (CID 84657695) is 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde is O=CC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde?
The InChIKey is VLIKSGPLYUYDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)5-11-2-1-6(3-11)4-12/h4,6H,1-3,5H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde?
1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde has a molecular weight of 181.16 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde is sourced from PubChem (CID 84657695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).