2-(3,3,3-trifluoropropoxy)propanenitrile

C6H8F3NO — CID 82953546

IUPAC2-(3,3,3-trifluoropropoxy)propanenitrile
SMILESCC(C#N)OCCC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-5(4-10)11-3-2-6(7,8)9/h5H,2-3H2,1H3
InChIKeyLGJLDBHGIYNOMO-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.87
Rot. Bonds3

About 2-(3,3,3-trifluoropropoxy)propanenitrile

2-(3,3,3-trifluoropropoxy)propanenitrile (PubChem CID 82953546) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropoxy)propanenitrile.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropoxy)propanenitrile
PubChem CID82953546
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2-(3,3,3-trifluoropropoxy)propanenitrile
SMILESCC(C#N)OCCC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-5(4-10)11-3-2-6(7,8)9/h5H,2-3H2,1H3
InChIKeyLGJLDBHGIYNOMO-UHFFFAOYSA-N
XLogP1.87
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropoxy)propanenitrile?
The IUPAC name of 2-(3,3,3-trifluoropropoxy)propanenitrile (CID 82953546) is 2-(3,3,3-trifluoropropoxy)propanenitrile.
What is the SMILES notation for 2-(3,3,3-trifluoropropoxy)propanenitrile?
The canonical SMILES for 2-(3,3,3-trifluoropropoxy)propanenitrile is CC(C#N)OCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropoxy)propanenitrile?
The InChIKey is LGJLDBHGIYNOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-5(4-10)11-3-2-6(7,8)9/h5H,2-3H2,1H3.
What are the key properties of 2-(3,3,3-trifluoropropoxy)propanenitrile?
2-(3,3,3-trifluoropropoxy)propanenitrile has a molecular weight of 167.13 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropoxy)propanenitrile is sourced from PubChem (CID 82953546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).