2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile

C10H8F3NO — CID 14579126

IUPAC2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)7-15-9-3-1-8(2-4-9)5-6-14/h1-4H,5,7H2
InChIKeyZOSXRMYFAUHTRK-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.69
Rot. Bonds3

About 2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile

2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile (PubChem CID 14579126) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
PubChem CID14579126
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)7-15-9-3-1-8(2-4-9)5-6-14/h1-4H,5,7H2
InChIKeyZOSXRMYFAUHTRK-UHFFFAOYSA-N
XLogP2.69
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,2,2-trifluoroethyl)phenyl]acetonitrile
CID 84668654
2-[4-[2-(bromomethyl)-2-ethylbutoxy]phenyl]acetonitrile
CID 64999046
1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene
CID 67763209
2-phenyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanedinitrile
CID 74221714
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
2-[4-[2-(4-iodophenoxy)ethoxy]phenyl]acetonitrile
CID 43289842
2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]acetonitrile
CID 43243668
2-[4-[2-(4-bromophenoxy)ethoxy]phenyl]acetonitrile
CID 43243666
[4-(cyanomethyl)phenyl] cyanate
CID 67151191
4-[4-(cyanomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65253649
2-[4-(2-hydroxybutoxy)phenyl]acetonitrile
CID 60884579
3-[4-(2,2-difluoropropoxy)phenyl]propanenitrile
CID 84789993

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile (CID 14579126) is 2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile is N#CCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile?
The InChIKey is ZOSXRMYFAUHTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)7-15-9-3-1-8(2-4-9)5-6-14/h1-4H,5,7H2.
What are the key properties of 2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile?
2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile has a molecular weight of 215.17 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile is sourced from PubChem (CID 14579126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).