N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide

C20H28F4N2O2 — CID 3545057

IUPACN,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide
SMILESO=C(NCCC1=CCCCC1)C(F)(F)C(F)(F)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H28F4N2O2/c21-19(22,17(27)25-13-11-15-7-3-1-4-8-15)20(23,24)18(28)26-14-12-16-9-5-2-6-10-16/h7,9H,1-6,8,10-14H2,(H,25,27)(H,26,28)
InChIKeyFDZSMZCFVZJZND-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.27
Rot. Bonds9

About N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide

N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide (PubChem CID 3545057) has the molecular formula C20H28F4N2O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide
PubChem CID3545057
Molecular FormulaC20H28F4N2O2
Molecular Weight404.45 g/mol
Exact Mass404.21
IUPAC NameN,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide
SMILESO=C(NCCC1=CCCCC1)C(F)(F)C(F)(F)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H28F4N2O2/c21-19(22,17(27)25-13-11-15-7-3-1-4-8-15)20(23,24)18(28)26-14-12-16-9-5-2-6-10-16/h7,9H,1-6,8,10-14H2,(H,25,27)(H,26,28)
InChIKeyFDZSMZCFVZJZND-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide?
The IUPAC name of N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide (CID 3545057) is N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide.
What is the SMILES notation for N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide?
The canonical SMILES for N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide is O=C(NCCC1=CCCCC1)C(F)(F)C(F)(F)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide?
The InChIKey is FDZSMZCFVZJZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F4N2O2/c21-19(22,17(27)25-13-11-15-7-3-1-4-8-15)20(23,24)18(28)26-14-12-16-9-5-2-6-10-16/h7,9H,1-6,8,10-14H2,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide?
N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide has a molecular weight of 404.45 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluorobutanediamide is sourced from PubChem (CID 3545057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).