7,7,7-tris(difluoroamino)heptanenitrile

C7H10F6N4 — CID 23234923

IUPAC7,7,7-tris(difluoroamino)heptanenitrile
SMILESN#CCCCCCC(N(F)F)(N(F)F)N(F)F
InChIInChI=1S/C7H10F6N4/c8-15(9)7(16(10)11,17(12)13)5-3-1-2-4-6-14/h1-5H2
InChIKeySPKWBZZMQBNMNK-UHFFFAOYSA-N
MW264.17 g/mol
LogP3.33
Rot. Bonds8

About 7,7,7-tris(difluoroamino)heptanenitrile

7,7,7-tris(difluoroamino)heptanenitrile (PubChem CID 23234923) has the molecular formula C7H10F6N4 and a molecular weight of 264.17 g/mol. Its IUPAC name is 7,7,7-tris(difluoroamino)heptanenitrile.

Molecular Properties

Compound Name7,7,7-tris(difluoroamino)heptanenitrile
PubChem CID23234923
Molecular FormulaC7H10F6N4
Molecular Weight264.17 g/mol
Exact Mass264.08
IUPAC Name7,7,7-tris(difluoroamino)heptanenitrile
SMILESN#CCCCCCC(N(F)F)(N(F)F)N(F)F
InChIInChI=1S/C7H10F6N4/c8-15(9)7(16(10)11,17(12)13)5-3-1-2-4-6-14/h1-5H2
InChIKeySPKWBZZMQBNMNK-UHFFFAOYSA-N
XLogP3.33
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

6,6-Bis(difluoroamino)heptanenitrile
CID 23234905
5,5,5-Tris(difluoroamino)pentanenitrile
CID 23234921
6,6,6-Tris(difluoroamino)hexanenitrile
CID 23234922

Frequently Asked Questions

What is the IUPAC name of 7,7,7-tris(difluoroamino)heptanenitrile?
The IUPAC name of 7,7,7-tris(difluoroamino)heptanenitrile (CID 23234923) is 7,7,7-tris(difluoroamino)heptanenitrile.
What is the SMILES notation for 7,7,7-tris(difluoroamino)heptanenitrile?
The canonical SMILES for 7,7,7-tris(difluoroamino)heptanenitrile is N#CCCCCCC(N(F)F)(N(F)F)N(F)F.
What is the InChIKey of 7,7,7-tris(difluoroamino)heptanenitrile?
The InChIKey is SPKWBZZMQBNMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6N4/c8-15(9)7(16(10)11,17(12)13)5-3-1-2-4-6-14/h1-5H2.
What are the key properties of 7,7,7-tris(difluoroamino)heptanenitrile?
7,7,7-tris(difluoroamino)heptanenitrile has a molecular weight of 264.17 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-tris(difluoroamino)heptanenitrile is sourced from PubChem (CID 23234923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).