5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile

C10H13F6NO — CID 102722175

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO/c1-8(2,6-17)4-3-5-18-7(9(11,12)13)10(14,15)16/h7H,3-5H2,1-2H3
InChIKeyGXIWSXWKCNUZRI-UHFFFAOYSA-N
MW277.21 g/mol
LogP3.83
Rot. Bonds5

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile

5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile (PubChem CID 102722175) has the molecular formula C10H13F6NO and a molecular weight of 277.21 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile
PubChem CID102722175
Molecular FormulaC10H13F6NO
Molecular Weight277.21 g/mol
Exact Mass277.09
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO/c1-8(2,6-17)4-3-5-18-7(9(11,12)13)10(14,15)16/h7H,3-5H2,1-2H3
InChIKeyGXIWSXWKCNUZRI-UHFFFAOYSA-N
XLogP3.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 53.83
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

4-[Difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile
CID 25018322
2,2,3,5,5,5-Hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanenitrile
CID 139685059
3,3-Difluoro-1-(propan-2-yloxymethyl)cyclobutane-1-carbonitrile
CID 164847449
2-(2,3,4,5,5-Pentafluoropentoxy)butanenitrile
CID 175318342
2,2-Dimethyl-5-(2,2,2-trifluoroethoxy)pentanenitrile
CID 65257753
2-Ethyl-2-methyl-4-(2,2,2-trifluoroethoxy)butanenitrile
CID 65378483
2,2-Dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanenitrile
CID 66275241
2,2-Dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile
CID 66276328
2-[1-(1,1,1-Trifluoropropan-2-yloxymethyl)cyclopropyl]acetonitrile
CID 66276972
5-(2,2-Difluoroethoxy)-2,2-dimethylpentanenitrile
CID 82003959
2,2-Dimethyl-5-(4,4,4-trifluorobutoxy)pentanenitrile
CID 82789459
2,2-Dimethyl-5-(3,3,3-trifluoropropoxy)pentanenitrile
CID 82953723

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile (CID 102722175) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile?
The InChIKey is GXIWSXWKCNUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO/c1-8(2,6-17)4-3-5-18-7(9(11,12)13)10(14,15)16/h7H,3-5H2,1-2H3.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile?
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile has a molecular weight of 277.21 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 102722175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).