2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile

C8H12F3NO — CID 177368983

IUPAC2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile
SMILESCC(C)C(C)(C#N)COC(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-6(2)7(3,4-12)5-13-8(9,10)11/h6H,5H2,1-3H3
InChIKeyOSWAGRJIZGFIMV-UHFFFAOYSA-N
MW195.18 g/mol
LogP2.71
Rot. Bonds3

About 2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile

2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile (PubChem CID 177368983) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile.

Molecular Properties

Compound Name2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile
PubChem CID177368983
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile
SMILESCC(C)C(C)(C#N)COC(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-6(2)7(3,4-12)5-13-8(9,10)11/h6H,5H2,1-3H3
InChIKeyOSWAGRJIZGFIMV-UHFFFAOYSA-N
XLogP2.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile?
The IUPAC name of 2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile (CID 177368983) is 2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile.
What is the SMILES notation for 2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile?
The canonical SMILES for 2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile is CC(C)C(C)(C#N)COC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile?
The InChIKey is OSWAGRJIZGFIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-6(2)7(3,4-12)5-13-8(9,10)11/h6H,5H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile?
2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile has a molecular weight of 195.18 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(trifluoromethoxymethyl)butanenitrile is sourced from PubChem (CID 177368983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).