2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile

C11H10F3NO — CID 170999109

IUPAC2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile
SMILESCCc1c(CC#N)cccc1OC(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-2-9-8(6-7-15)4-3-5-10(9)16-11(12,13)14/h3-5H,2,6H2,1H3
InChIKeyRYESUMKFYQAOPT-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.21
Rot. Bonds3

About 2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile

2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile (PubChem CID 170999109) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile
PubChem CID170999109
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile
SMILESCCc1c(CC#N)cccc1OC(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-2-9-8(6-7-15)4-3-5-10(9)16-11(12,13)14/h3-5H,2,6H2,1H3
InChIKeyRYESUMKFYQAOPT-UHFFFAOYSA-N
XLogP3.21
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(trifluoromethoxy)naphthalen-1-yl]acetonitrile
CID 166641126
2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene
CID 131169258
2-ethyl-3-(trifluoromethoxy)benzenethiol
CID 170999052
2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
CID 84767792
3-[2-methyl-3-(trifluoromethoxy)phenyl]propanenitrile
CID 134621531
2-[2-(2-bromopropanoyl)-6-(trifluoromethoxy)phenyl]acetonitrile
CID 170838179
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
2-[2-(1-chloro-2-oxopropyl)-6-(trifluoromethoxy)phenyl]acetonitrile
CID 170837599
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 131869127
2-(3-bromopropyl)-1-ethyl-3-(trifluoromethoxy)benzene
CID 118841491
3-[2-(trifluoromethoxy)phenyl]propanenitrile
CID 53434364
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 118822081

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile (CID 170999109) is 2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile is CCc1c(CC#N)cccc1OC(F)(F)F.
What is the InChIKey of 2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile?
The InChIKey is RYESUMKFYQAOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-2-9-8(6-7-15)4-3-5-10(9)16-11(12,13)14/h3-5H,2,6H2,1H3.
What are the key properties of 2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile?
2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile has a molecular weight of 229.20 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile is sourced from PubChem (CID 170999109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).