2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile

C6H8F3NO — CID 103368221

IUPAC2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile
SMILESCCOCC(C#N)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-11-4-5(3-10)6(7,8)9/h5H,2,4H2,1H3
InChIKeyCUPOXGUGERWECY-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.72
Rot. Bonds3

About 2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile

2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile (PubChem CID 103368221) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile
PubChem CID103368221
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile
SMILESCCOCC(C#N)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-11-4-5(3-10)6(7,8)9/h5H,2,4H2,1H3
InChIKeyCUPOXGUGERWECY-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Methylpropoxy)propanenitrile
CID 100890
3-(2,2,2-Trifluoroethoxy)propionitrile
CID 24710265
3,3-Difluoro-2-(fluoromethyl)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 20598414
3-(2,2-Difluoroethoxy)propanenitrile
CID 53412891
2-(4,4,4-Trifluoro-3-methylbutan-2-yl)oxyacetonitrile
CID 59060996
3-(1,1,1-Trifluoropropan-2-yloxy)propanenitrile
CID 66274802
3-(3,3,3-Trifluoropropoxy)propanenitrile
CID 82955077
2-(2,2-Difluoropropoxy)acetonitrile
CID 84648224
3-(1,1,2-Trifluoroethoxy)propanenitrile
CID 87460715
3-(1,2,2-Trifluoroethoxy)propanenitrile
CID 87460716
2-(2,2-Difluorobutoxy)acetonitrile
CID 88582097
3,3-Difluoro-2-methyl-3-(2,2,2-trifluoroethoxy)propanenitrile;1,1,2-trifluoroethene;hydrofluoride
CID 91257230

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile (CID 103368221) is 2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile is CCOCC(C#N)C(F)(F)F.
What is the InChIKey of 2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile?
The InChIKey is CUPOXGUGERWECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-2-11-4-5(3-10)6(7,8)9/h5H,2,4H2,1H3.
What are the key properties of 2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile?
2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile has a molecular weight of 167.13 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103368221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).