2,2,4,4-tetrafluorohexanediamide

C6H8F4N2O2 — CID 167618234

IUPAC2,2,4,4-tetrafluorohexanediamide
SMILESNC(=O)CC(F)(F)CC(F)(F)C(N)=O
InChIInChI=1S/C6H8F4N2O2/c7-5(8,1-3(11)13)2-6(9,10)4(12)14/h1-2H2,(H2,11,13)(H2,12,14)
InChIKeyZTPUEVQZYOMUDX-UHFFFAOYSA-N
MW216.13 g/mol
LogP0.01
Rot. Bonds5

About 2,2,4,4-tetrafluorohexanediamide

2,2,4,4-tetrafluorohexanediamide (PubChem CID 167618234) has the molecular formula C6H8F4N2O2 and a molecular weight of 216.13 g/mol. Its IUPAC name is 2,2,4,4-tetrafluorohexanediamide.

Molecular Properties

Compound Name2,2,4,4-tetrafluorohexanediamide
PubChem CID167618234
Molecular FormulaC6H8F4N2O2
Molecular Weight216.13 g/mol
Exact Mass216.05
IUPAC Name2,2,4,4-tetrafluorohexanediamide
SMILESNC(=O)CC(F)(F)CC(F)(F)C(N)=O
InChIInChI=1S/C6H8F4N2O2/c7-5(8,1-3(11)13)2-6(9,10)4(12)14/h1-2H2,(H2,11,13)(H2,12,14)
InChIKeyZTPUEVQZYOMUDX-UHFFFAOYSA-N
XLogP0.01
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrafluorohexanediamide?
The IUPAC name of 2,2,4,4-tetrafluorohexanediamide (CID 167618234) is 2,2,4,4-tetrafluorohexanediamide.
What is the SMILES notation for 2,2,4,4-tetrafluorohexanediamide?
The canonical SMILES for 2,2,4,4-tetrafluorohexanediamide is NC(=O)CC(F)(F)CC(F)(F)C(N)=O.
What is the InChIKey of 2,2,4,4-tetrafluorohexanediamide?
The InChIKey is ZTPUEVQZYOMUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4N2O2/c7-5(8,1-3(11)13)2-6(9,10)4(12)14/h1-2H2,(H2,11,13)(H2,12,14).
What are the key properties of 2,2,4,4-tetrafluorohexanediamide?
2,2,4,4-tetrafluorohexanediamide has a molecular weight of 216.13 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrafluorohexanediamide is sourced from PubChem (CID 167618234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).