N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide

C11H15F2N3O2 — CID 173114828

IUPACN'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide
SMILESN#CC1(NC(=O)CCC(F)(F)CCC(N)=O)CC1
InChIInChI=1S/C11H15F2N3O2/c12-11(13,3-1-8(15)17)4-2-9(18)16-10(7-14)5-6-10/h1-6H2,(H2,15,17)(H,16,18)
InChIKeyVEOMNCABIYFVLZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.84
Rot. Bonds7

About N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide

N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide (PubChem CID 173114828) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide.

Molecular Properties

Compound NameN'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide
PubChem CID173114828
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC NameN'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide
SMILESN#CC1(NC(=O)CCC(F)(F)CCC(N)=O)CC1
InChIInChI=1S/C11H15F2N3O2/c12-11(13,3-1-8(15)17)4-2-9(18)16-10(7-14)5-6-10/h1-6H2,(H2,15,17)(H,16,18)
InChIKeyVEOMNCABIYFVLZ-UHFFFAOYSA-N
XLogP0.84
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide?
The IUPAC name of N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide (CID 173114828) is N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide.
What is the SMILES notation for N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide?
The canonical SMILES for N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide is N#CC1(NC(=O)CCC(F)(F)CCC(N)=O)CC1.
What is the InChIKey of N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide?
The InChIKey is VEOMNCABIYFVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-11(13,3-1-8(15)17)4-2-9(18)16-10(7-14)5-6-10/h1-6H2,(H2,15,17)(H,16,18).
What are the key properties of N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide?
N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide has a molecular weight of 259.26 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide is sourced from PubChem (CID 173114828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).