6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile

C11H15F6NO — CID 106710553

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO/c1-9(2,7-18)5-3-4-6-19-8(10(12,13)14)11(15,16)17/h8H,3-6H2,1-2H3
InChIKeyLCQGAGAMNXKUFT-UHFFFAOYSA-N
MW291.24 g/mol
LogP4.22
Rot. Bonds6

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile (PubChem CID 106710553) has the molecular formula C11H15F6NO and a molecular weight of 291.24 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile
PubChem CID106710553
Molecular FormulaC11H15F6NO
Molecular Weight291.24 g/mol
Exact Mass291.11
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO/c1-9(2,7-18)5-3-4-6-19-8(10(12,13)14)11(15,16)17/h8H,3-6H2,1-2H3
InChIKeyLCQGAGAMNXKUFT-UHFFFAOYSA-N
XLogP4.22
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-Difluoro-1-(propan-2-yloxymethyl)cyclobutane-1-carbonitrile
CID 164847449
2-(5,5,6,6,6-Pentafluorohexoxy)butanenitrile
CID 175496462
2,2-Dimethyl-5-(2,2,2-trifluoroethoxy)pentanenitrile
CID 65257753
2-Ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentanenitrile
CID 65378485
2,2-Dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanenitrile
CID 66275241
5-(2,2-Difluoroethoxy)-2,2-dimethylpentanenitrile
CID 82003959
4-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-2,2-dimethylbutanenitrile
CID 102722169
5-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile
CID 102722175
2,2-Dimethyl-6-(2,2,2-trifluoroethoxy)hexanenitrile
CID 106710329
2,2-Dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanenitrile
CID 106710415
2,2-Dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanenitrile
CID 106710515
2,2-Dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanenitrile
CID 106710519

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile (CID 106710553) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile is CC(C)(C#N)CCCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile?
The InChIKey is LCQGAGAMNXKUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO/c1-9(2,7-18)5-3-4-6-19-8(10(12,13)14)11(15,16)17/h8H,3-6H2,1-2H3.
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile has a molecular weight of 291.24 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106710553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).