2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide

C14H20F4N2O4 — CID 2933142

IUPAC2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide
SMILESO=C(NCC1CCCO1)C(F)(F)C(F)(F)C(=O)NCC1CCCO1
InChIInChI=1S/C14H20F4N2O4/c15-13(16,11(21)19-7-9-3-1-5-23-9)14(17,18)12(22)20-8-10-4-2-6-24-10/h9-10H,1-8H2,(H,19,21)(H,20,22)
InChIKeyNLBADXVGXHHXRI-UHFFFAOYSA-N
MW356.32 g/mol
LogP0.85
Rot. Bonds7

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

2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide (PubChem CID 2933142) has the molecular formula C14H20F4N2O4 and a molecular weight of 356.32 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide
PubChem CID2933142
Molecular FormulaC14H20F4N2O4
Molecular Weight356.32 g/mol
Exact Mass356.14
IUPAC Name2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide
SMILESO=C(NCC1CCCO1)C(F)(F)C(F)(F)C(=O)NCC1CCCO1
InChIInChI=1S/C14H20F4N2O4/c15-13(16,11(21)19-7-9-3-1-5-23-9)14(17,18)12(22)20-8-10-4-2-6-24-10/h9-10H,1-8H2,(H,19,21)(H,20,22)
InChIKeyNLBADXVGXHHXRI-UHFFFAOYSA-N
XLogP0.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
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(oxolan-2-ylmethyl)butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide (CID 2933142) is 2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide is O=C(NCC1CCCO1)C(F)(F)C(F)(F)C(=O)NCC1CCCO1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide?
The InChIKey is NLBADXVGXHHXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2O4/c15-13(16,11(21)19-7-9-3-1-5-23-9)14(17,18)12(22)20-8-10-4-2-6-24-10/h9-10H,1-8H2,(H,19,21)(H,20,22).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide?
2,2,3,3-tetrafluoro-N,N'-bis(oxolan-2-ylmethyl)butanediamide has a molecular weight of 356.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 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(oxolan-2-ylmethyl)butanediamide is sourced from PubChem (CID 2933142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).