2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal

C7HF12NO — CID 174910372

IUPAC2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal
SMILESO=CC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7HF12NO/c8-2(9,1-21)5(14,15)20-6(16,17)3(10,11)4(12,13)7(20,18)19/h1H
InChIKeyVUHURUKGTXOSNU-UHFFFAOYSA-N
MW343.07 g/mol
LogP3.19
Rot. Bonds3

About 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal

2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal (PubChem CID 174910372) has the molecular formula C7HF12NO and a molecular weight of 343.07 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal
PubChem CID174910372
Molecular FormulaC7HF12NO
Molecular Weight343.07 g/mol
Exact Mass342.99
IUPAC Name2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal
SMILESO=CC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7HF12NO/c8-2(9,1-21)5(14,15)20-6(16,17)3(10,11)4(12,13)7(20,18)19/h1H
InChIKeyVUHURUKGTXOSNU-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.07
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal?
The IUPAC name of 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal (CID 174910372) is 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal is O=CC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal?
The InChIKey is VUHURUKGTXOSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF12NO/c8-2(9,1-21)5(14,15)20-6(16,17)3(10,11)4(12,13)7(20,18)19/h1H.
What are the key properties of 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal?
2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal has a molecular weight of 343.07 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal is sourced from PubChem (CID 174910372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).