2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide

C13H12F10N2O2 — CID 3089738

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide
SMILESC=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NCC=C
InChIInChI=1S/C13H12F10N2O2/c1-3-5-24-7(26)9(14,15)11(18,19)13(22,23)12(20,21)10(16,17)8(27)25-6-4-2/h3-4H,1-2,5-6H2,(H,24,26)(H,25,27)
InChIKeyLPOYKMWIRZPEQT-UHFFFAOYSA-N
MW418.23 g/mol
LogP2.77
Rot. Bonds10

About 2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide

2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide (PubChem CID 3089738) has the molecular formula C13H12F10N2O2 and a molecular weight of 418.23 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide
PubChem CID3089738
Molecular FormulaC13H12F10N2O2
Molecular Weight418.23 g/mol
Exact Mass418.07
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide
SMILESC=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NCC=C
InChIInChI=1S/C13H12F10N2O2/c1-3-5-24-7(26)9(14,15)11(18,19)13(22,23)12(20,21)10(16,17)8(27)25-6-4-2/h3-4H,1-2,5-6H2,(H,24,26)(H,25,27)
InChIKeyLPOYKMWIRZPEQT-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.23
LogP ≤ 52.77
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 2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide (CID 3089738) is 2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide is C=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NCC=C.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide?
The InChIKey is LPOYKMWIRZPEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F10N2O2/c1-3-5-24-7(26)9(14,15)11(18,19)13(22,23)12(20,21)10(16,17)8(27)25-6-4-2/h3-4H,1-2,5-6H2,(H,24,26)(H,25,27).
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide?
2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide has a molecular weight of 418.23 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-bis(prop-2-enyl)heptanediamide is sourced from PubChem (CID 3089738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).