3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile

C11H7F6NO — CID 103368324

IUPAC3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile
SMILESN#CC(COc1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C11H7F6NO/c12-10(13,14)7-1-3-9(4-2-7)19-6-8(5-18)11(15,16)17/h1-4,8H,6H2
InChIKeyFYYGVKRTAKRFNP-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.79
Rot. Bonds3

About 3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile

3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile (PubChem CID 103368324) has the molecular formula C11H7F6NO and a molecular weight of 283.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile
PubChem CID103368324
Molecular FormulaC11H7F6NO
Molecular Weight283.17 g/mol
Exact Mass283.04
IUPAC Name3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile
SMILESN#CC(COc1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C11H7F6NO/c12-10(13,14)7-1-3-9(4-2-7)19-6-8(5-18)11(15,16)17/h1-4,8H,6H2
InChIKeyFYYGVKRTAKRFNP-UHFFFAOYSA-N
XLogP3.79
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-[(4-methylsulfanylphenoxy)methyl]propanenitrile
CID 103368397
3-(2-cyano-3,3,3-trifluoropropoxy)benzonitrile
CID 103368272
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
3-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]butanoic acid
CID 117242534
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
3,3,3-trifluoro-2-[[2-(methylaminomethyl)phenoxy]methyl]propanenitrile
CID 106484665
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-4-(trifluoromethyl)benzene
CID 65016574
2-[[4-(trifluoromethyl)phenoxy]methyl]butane-1,4-diol
CID 117236902
2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile
CID 54886210
2-fluoro-6-[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]amino]benzonitrile
CID 47485502

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile (CID 103368324) is 3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile is N#CC(COc1ccc(C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile?
The InChIKey is FYYGVKRTAKRFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6NO/c12-10(13,14)7-1-3-9(4-2-7)19-6-8(5-18)11(15,16)17/h1-4,8H,6H2.
What are the key properties of 3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile?
3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile has a molecular weight of 283.17 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile is sourced from PubChem (CID 103368324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).