N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide

C12H20F4N2O2 — CID 3550173

IUPACN,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide
SMILESCCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCC
InChIInChI=1S/C12H20F4N2O2/c1-3-5-7-17-9(19)11(13,14)12(15,16)10(20)18-8-6-4-2/h3-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyKCZNLCNMIGCZCL-UHFFFAOYSA-N
MW300.30 g/mol
LogP2.09
Rot. Bonds9

About N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide

N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide (PubChem CID 3550173) has the molecular formula C12H20F4N2O2 and a molecular weight of 300.30 g/mol. Its IUPAC name is N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide.

Molecular Properties

Compound NameN,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide
PubChem CID3550173
Molecular FormulaC12H20F4N2O2
Molecular Weight300.30 g/mol
Exact Mass300.15
IUPAC NameN,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide
SMILESCCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCC
InChIInChI=1S/C12H20F4N2O2/c1-3-5-7-17-9(19)11(13,14)12(15,16)10(20)18-8-6-4-2/h3-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyKCZNLCNMIGCZCL-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.09
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 N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide?
The IUPAC name of N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide (CID 3550173) is N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide.
What is the SMILES notation for N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide?
The canonical SMILES for N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide is CCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCC.
What is the InChIKey of N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide?
The InChIKey is KCZNLCNMIGCZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4N2O2/c1-3-5-7-17-9(19)11(13,14)12(15,16)10(20)18-8-6-4-2/h3-8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide?
N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide has a molecular weight of 300.30 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide is sourced from PubChem (CID 3550173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).