2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile

C11H17F4NO — CID 106710415

IUPAC2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile
SMILESCC(C)(C#N)CCCCOCC(F)(F)C(F)F
InChIInChI=1S/C11H17F4NO/c1-10(2,7-16)5-3-4-6-17-8-11(14,15)9(12)13/h9H,3-6,8H2,1-2H3
InChIKeyULUNIOFJULFZBV-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.62
Rot. Bonds8

About 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile

2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile (PubChem CID 106710415) has the molecular formula C11H17F4NO and a molecular weight of 255.25 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile
PubChem CID106710415
Molecular FormulaC11H17F4NO
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC Name2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile
SMILESCC(C)(C#N)CCCCOCC(F)(F)C(F)F
InChIInChI=1S/C11H17F4NO/c1-10(2,7-16)5-3-4-6-17-8-11(14,15)9(12)13/h9H,3-6,8H2,1-2H3
InChIKeyULUNIOFJULFZBV-UHFFFAOYSA-N
XLogP3.62
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile (CID 106710415) is 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile is CC(C)(C#N)CCCCOCC(F)(F)C(F)F.
What is the InChIKey of 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile?
The InChIKey is ULUNIOFJULFZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO/c1-10(2,7-16)5-3-4-6-17-8-11(14,15)9(12)13/h9H,3-6,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile?
2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile has a molecular weight of 255.25 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile is sourced from PubChem (CID 106710415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).