2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide

C14H24F4N2O2 — CID 3300480

IUPAC2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide
SMILESCCCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCCC
InChIInChI=1S/C14H24F4N2O2/c1-3-5-7-9-19-11(21)13(15,16)14(17,18)12(22)20-10-8-6-4-2/h3-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZLXVJRAOSDKCOZ-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.87
Rot. Bonds11

About 2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide

2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide (PubChem CID 3300480) has the molecular formula C14H24F4N2O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide
PubChem CID3300480
Molecular FormulaC14H24F4N2O2
Molecular Weight328.35 g/mol
Exact Mass328.18
IUPAC Name2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide
SMILESCCCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCCC
InChIInChI=1S/C14H24F4N2O2/c1-3-5-7-9-19-11(21)13(15,16)14(17,18)12(22)20-10-8-6-4-2/h3-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZLXVJRAOSDKCOZ-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-dipentylbutanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide (CID 3300480) is 2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide is CCCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCCC.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide?
The InChIKey is ZLXVJRAOSDKCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F4N2O2/c1-3-5-7-9-19-11(21)13(15,16)14(17,18)12(22)20-10-8-6-4-2/h3-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide?
2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide has a molecular weight of 328.35 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide is sourced from PubChem (CID 3300480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).