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

C6H8F3NO — CID 177253506

IUPAC3-(2,2,3-trifluoropropoxy)propanenitrile
SMILESN#CCCOCC(F)(F)CF
InChIInChI=1S/C6H8F3NO/c7-4-6(8,9)5-11-3-1-2-10/h1,3-5H2
InChIKeyJWPICZJGTWQTOJ-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.52
Rot. Bonds5

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

3-(2,2,3-trifluoropropoxy)propanenitrile (PubChem CID 177253506) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 3-(2,2,3-trifluoropropoxy)propanenitrile.

Molecular Properties

Compound Name3-(2,2,3-trifluoropropoxy)propanenitrile
PubChem CID177253506
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name3-(2,2,3-trifluoropropoxy)propanenitrile
SMILESN#CCCOCC(F)(F)CF
InChIInChI=1S/C6H8F3NO/c7-4-6(8,9)5-11-3-1-2-10/h1,3-5H2
InChIKeyJWPICZJGTWQTOJ-UHFFFAOYSA-N
XLogP1.52
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.52
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-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)propanenitrile
CID 98460783
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
CID 151275278
3-(4,4,4-trifluorobutoxy)propanenitrile
CID 82788617
3-(1,1,2-trifluoroethoxy)propanenitrile
CID 87460715
3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile
CID 131854633
3-[2-(2-cyanoethoxymethyl)-2-ethylbutoxy]propanenitrile
CID 58461553
3-[2-(2-cyanoethoxymethyl)-3-(2-isocyanoethoxy)-2-(2-isocyanoethoxymethyl)propoxy]propanenitrile
CID 23569594
6-(2-cyanoethoxy)hexanenitrile
CID 142730413
3-(2-aminoethoxy)propanenitrile;hydrochloride
CID 86645514
3-[2-(2-cyanoethoxy)ethylamino]propanenitrile
CID 13446506
3-[3-[3-[3-[3-[3-[bis[3-[3-[bis[3-(2-cyanoethoxy)propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis[3-(2-cyanoethoxy)propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-(2-cyanoethoxy)propyl]amino]propoxy]propanenitrile
CID 11320859

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3-trifluoropropoxy)propanenitrile?
The IUPAC name of 3-(2,2,3-trifluoropropoxy)propanenitrile (CID 177253506) is 3-(2,2,3-trifluoropropoxy)propanenitrile.
What is the SMILES notation for 3-(2,2,3-trifluoropropoxy)propanenitrile?
The canonical SMILES for 3-(2,2,3-trifluoropropoxy)propanenitrile is N#CCCOCC(F)(F)CF.
What is the InChIKey of 3-(2,2,3-trifluoropropoxy)propanenitrile?
The InChIKey is JWPICZJGTWQTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-4-6(8,9)5-11-3-1-2-10/h1,3-5H2.
What are the key properties of 3-(2,2,3-trifluoropropoxy)propanenitrile?
3-(2,2,3-trifluoropropoxy)propanenitrile has a molecular weight of 167.13 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3-trifluoropropoxy)propanenitrile is sourced from PubChem (CID 177253506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).