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

C8H12F4N2O4 — CID 5001733

IUPAC2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide
SMILESO=C(NCCO)C(F)(F)C(F)(F)C(=O)NCCO
InChIInChI=1S/C8H12F4N2O4/c9-7(10,5(17)13-1-3-15)8(11,12)6(18)14-2-4-16/h15-16H,1-4H2,(H,13,17)(H,14,18)
InChIKeyUHTZTPCPGPYOAU-UHFFFAOYSA-N
MW276.19 g/mol
LogP-1.53
Rot. Bonds7

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

2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide (PubChem CID 5001733) has the molecular formula C8H12F4N2O4 and a molecular weight of 276.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide
PubChem CID5001733
Molecular FormulaC8H12F4N2O4
Molecular Weight276.19 g/mol
Exact Mass276.07
IUPAC Name2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide
SMILESO=C(NCCO)C(F)(F)C(F)(F)C(=O)NCCO
InChIInChI=1S/C8H12F4N2O4/c9-7(10,5(17)13-1-3-15)8(11,12)6(18)14-2-4-16/h15-16H,1-4H2,(H,13,17)(H,14,18)
InChIKeyUHTZTPCPGPYOAU-UHFFFAOYSA-N
XLogP-1.53
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide (CID 5001733) is 2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide is O=C(NCCO)C(F)(F)C(F)(F)C(=O)NCCO.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide?
The InChIKey is UHTZTPCPGPYOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2O4/c9-7(10,5(17)13-1-3-15)8(11,12)6(18)14-2-4-16/h15-16H,1-4H2,(H,13,17)(H,14,18).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide?
2,2,3,3-tetrafluoro-N,N'-bis(2-hydroxyethyl)butanediamide has a molecular weight of 276.19 g/mol, XLogP of -1.53, 7 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(2-hydroxyethyl)butanediamide is sourced from PubChem (CID 5001733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).