2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde

C9H11F4NO2 — CID 175542186

IUPAC2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde
SMILESO=CN1CC(F)(F)C(O)C1C1CC(F)(F)C1
InChIInChI=1S/C9H11F4NO2/c10-8(11)1-5(2-8)6-7(16)9(12,13)3-14(6)4-15/h4-7,16H,1-3H2
InChIKeyIMUZXHAFHGEZLT-UHFFFAOYSA-N
MW241.18 g/mol
LogP0.87
Rot. Bonds2

About 2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde

2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde (PubChem CID 175542186) has the molecular formula C9H11F4NO2 and a molecular weight of 241.18 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde
PubChem CID175542186
Molecular FormulaC9H11F4NO2
Molecular Weight241.18 g/mol
Exact Mass241.07
IUPAC Name2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde
SMILESO=CN1CC(F)(F)C(O)C1C1CC(F)(F)C1
InChIInChI=1S/C9H11F4NO2/c10-8(11)1-5(2-8)6-7(16)9(12,13)3-14(6)4-15/h4-7,16H,1-3H2
InChIKeyIMUZXHAFHGEZLT-UHFFFAOYSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde
CID 175542192

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde (CID 175542186) is 2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde is O=CN1CC(F)(F)C(O)C1C1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde?
The InChIKey is IMUZXHAFHGEZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO2/c10-8(11)1-5(2-8)6-7(16)9(12,13)3-14(6)4-15/h4-7,16H,1-3H2.
What are the key properties of 2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde?
2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde has a molecular weight of 241.18 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde is sourced from PubChem (CID 175542186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).