2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide

C10H16F4N2O4 — CID 3124695

IUPAC2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide
SMILESO=C(NCCCO)C(F)(F)C(F)(F)C(=O)NCCCO
InChIInChI=1S/C10H16F4N2O4/c11-9(12,7(19)15-3-1-5-17)10(13,14)8(20)16-4-2-6-18/h17-18H,1-6H2,(H,15,19)(H,16,20)
InChIKeyMERKVUJEQWKULM-UHFFFAOYSA-N
MW304.24 g/mol
LogP-0.75
Rot. Bonds9

About 2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide

2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide (PubChem CID 3124695) has the molecular formula C10H16F4N2O4 and a molecular weight of 304.24 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide
PubChem CID3124695
Molecular FormulaC10H16F4N2O4
Molecular Weight304.24 g/mol
Exact Mass304.10
IUPAC Name2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide
SMILESO=C(NCCCO)C(F)(F)C(F)(F)C(=O)NCCCO
InChIInChI=1S/C10H16F4N2O4/c11-9(12,7(19)15-3-1-5-17)10(13,14)8(20)16-4-2-6-18/h17-18H,1-6H2,(H,15,19)(H,16,20)
InChIKeyMERKVUJEQWKULM-UHFFFAOYSA-N
XLogP-0.75
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide 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-N,N'-bis(3-hydroxypropyl)butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide (CID 3124695) is 2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide is O=C(NCCCO)C(F)(F)C(F)(F)C(=O)NCCCO.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide?
The InChIKey is MERKVUJEQWKULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O4/c11-9(12,7(19)15-3-1-5-17)10(13,14)8(20)16-4-2-6-18/h17-18H,1-6H2,(H,15,19)(H,16,20).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide?
2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide has a molecular weight of 304.24 g/mol, XLogP of -0.75, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide is sourced from PubChem (CID 3124695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).