2,2-difluoropyrrolidine-1-carbaldehyde

C5H7F2NO — CID 90999327

IUPAC2,2-difluoropyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1(F)F
InChIInChI=1S/C5H7F2NO/c6-5(7)2-1-3-8(5)4-9/h4H,1-3H2
InChIKeyMGNWNZQAQJDHKK-UHFFFAOYSA-N
MW135.11 g/mol
LogP0.83
Rot. Bonds1

About 2,2-difluoropyrrolidine-1-carbaldehyde

2,2-difluoropyrrolidine-1-carbaldehyde (PubChem CID 90999327) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 2,2-difluoropyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2,2-difluoropyrrolidine-1-carbaldehyde
PubChem CID90999327
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name2,2-difluoropyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1(F)F
InChIInChI=1S/C5H7F2NO/c6-5(7)2-1-3-8(5)4-9/h4H,1-3H2
InChIKeyMGNWNZQAQJDHKK-UHFFFAOYSA-N
XLogP0.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.83
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 2,2-difluoropyrrolidine-1-carbaldehyde?
The IUPAC name of 2,2-difluoropyrrolidine-1-carbaldehyde (CID 90999327) is 2,2-difluoropyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2,2-difluoropyrrolidine-1-carbaldehyde?
The canonical SMILES for 2,2-difluoropyrrolidine-1-carbaldehyde is O=CN1CCCC1(F)F.
What is the InChIKey of 2,2-difluoropyrrolidine-1-carbaldehyde?
The InChIKey is MGNWNZQAQJDHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c6-5(7)2-1-3-8(5)4-9/h4H,1-3H2.
What are the key properties of 2,2-difluoropyrrolidine-1-carbaldehyde?
2,2-difluoropyrrolidine-1-carbaldehyde has a molecular weight of 135.11 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropyrrolidine-1-carbaldehyde is sourced from PubChem (CID 90999327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).