2-(trifluoromethoxy)acetonitrile

C3H2F3NO — CID 18435063

IUPAC2-(trifluoromethoxy)acetonitrile
SMILESN#CCOC(F)(F)F
InChIInChI=1S/C3H2F3NO/c4-3(5,6)8-2-1-7/h2H2
InChIKeyWAHOPVUXUFZUED-UHFFFAOYSA-N
MW125.05 g/mol
LogP1.05
Rot. Bonds1

About 2-(trifluoromethoxy)acetonitrile

2-(trifluoromethoxy)acetonitrile (PubChem CID 18435063) has the molecular formula C3H2F3NO and a molecular weight of 125.05 g/mol. Its IUPAC name is 2-(trifluoromethoxy)acetonitrile.

Molecular Properties

Compound Name2-(trifluoromethoxy)acetonitrile
PubChem CID18435063
Molecular FormulaC3H2F3NO
Molecular Weight125.05 g/mol
Exact Mass125.01
IUPAC Name2-(trifluoromethoxy)acetonitrile
SMILESN#CCOC(F)(F)F
InChIInChI=1S/C3H2F3NO/c4-3(5,6)8-2-1-7/h2H2
InChIKeyWAHOPVUXUFZUED-UHFFFAOYSA-N
XLogP1.05
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.05
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)acetonitrile?
The IUPAC name of 2-(trifluoromethoxy)acetonitrile (CID 18435063) is 2-(trifluoromethoxy)acetonitrile.
What is the SMILES notation for 2-(trifluoromethoxy)acetonitrile?
The canonical SMILES for 2-(trifluoromethoxy)acetonitrile is N#CCOC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)acetonitrile?
The InChIKey is WAHOPVUXUFZUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3NO/c4-3(5,6)8-2-1-7/h2H2.
What are the key properties of 2-(trifluoromethoxy)acetonitrile?
2-(trifluoromethoxy)acetonitrile has a molecular weight of 125.05 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)acetonitrile is sourced from PubChem (CID 18435063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).