6,6,6-tris(difluoroamino)hexanenitrile

C6H8F6N4 — CID 23234922

IUPAC6,6,6-tris(difluoroamino)hexanenitrile
SMILESN#CCCCCC(N(F)F)(N(F)F)N(F)F
InChIInChI=1S/C6H8F6N4/c7-14(8)6(15(9)10,16(11)12)4-2-1-3-5-13/h1-4H2
InChIKeyXFSJAVAABLLOKC-UHFFFAOYSA-N
MW250.15 g/mol
LogP2.94
Rot. Bonds7

About 6,6,6-tris(difluoroamino)hexanenitrile

6,6,6-tris(difluoroamino)hexanenitrile (PubChem CID 23234922) has the molecular formula C6H8F6N4 and a molecular weight of 250.15 g/mol. Its IUPAC name is 6,6,6-tris(difluoroamino)hexanenitrile.

Molecular Properties

Compound Name6,6,6-tris(difluoroamino)hexanenitrile
PubChem CID23234922
Molecular FormulaC6H8F6N4
Molecular Weight250.15 g/mol
Exact Mass250.07
IUPAC Name6,6,6-tris(difluoroamino)hexanenitrile
SMILESN#CCCCCC(N(F)F)(N(F)F)N(F)F
InChIInChI=1S/C6H8F6N4/c7-14(8)6(15(9)10,16(11)12)4-2-1-3-5-13/h1-4H2
InChIKeyXFSJAVAABLLOKC-UHFFFAOYSA-N
XLogP2.94
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 6,6,6-tris(difluoroamino)hexanenitrile?
The IUPAC name of 6,6,6-tris(difluoroamino)hexanenitrile (CID 23234922) is 6,6,6-tris(difluoroamino)hexanenitrile.
What is the SMILES notation for 6,6,6-tris(difluoroamino)hexanenitrile?
The canonical SMILES for 6,6,6-tris(difluoroamino)hexanenitrile is N#CCCCCC(N(F)F)(N(F)F)N(F)F.
What is the InChIKey of 6,6,6-tris(difluoroamino)hexanenitrile?
The InChIKey is XFSJAVAABLLOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6N4/c7-14(8)6(15(9)10,16(11)12)4-2-1-3-5-13/h1-4H2.
What are the key properties of 6,6,6-tris(difluoroamino)hexanenitrile?
6,6,6-tris(difluoroamino)hexanenitrile has a molecular weight of 250.15 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-tris(difluoroamino)hexanenitrile is sourced from PubChem (CID 23234922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).