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

C11H16F5NO — CID 106710519

IUPAC2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile
SMILESCC(C)(C#N)CCCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5NO/c1-9(2,7-17)5-3-4-6-18-8-10(12,13)11(14,15)16/h3-6,8H2,1-2H3
InChIKeyYNKYLPBZGAFSPV-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.92
Rot. Bonds7

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

2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile (PubChem CID 106710519) has the molecular formula C11H16F5NO and a molecular weight of 273.24 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile
PubChem CID106710519
Molecular FormulaC11H16F5NO
Molecular Weight273.24 g/mol
Exact Mass273.12
IUPAC Name2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile
SMILESCC(C)(C#N)CCCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5NO/c1-9(2,7-17)5-3-4-6-18-8-10(12,13)11(14,15)16/h3-6,8H2,1-2H3
InChIKeyYNKYLPBZGAFSPV-UHFFFAOYSA-N
XLogP3.92
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.92
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-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile (CID 106710519) is 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile is CC(C)(C#N)CCCCOCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile?
The InChIKey is YNKYLPBZGAFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5NO/c1-9(2,7-17)5-3-4-6-18-8-10(12,13)11(14,15)16/h3-6,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile?
2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile has a molecular weight of 273.24 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile is sourced from PubChem (CID 106710519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).