2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile

C10H8F3NO — CID 131869127

IUPAC2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
SMILESCOc1cccc(CC#N)c1C(F)(F)F
InChIInChI=1S/C10H8F3NO/c1-15-8-4-2-3-7(5-6-14)9(8)10(11,12)13/h2-4H,5H2,1H3
InChIKeyNXVLSYPNVUZUHU-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.78
Rot. Bonds2

About 2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile

2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 131869127) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
PubChem CID131869127
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
SMILESCOc1cccc(CC#N)c1C(F)(F)F
InChIInChI=1S/C10H8F3NO/c1-15-8-4-2-3-7(5-6-14)9(8)10(11,12)13/h2-4H,5H2,1H3
InChIKeyNXVLSYPNVUZUHU-UHFFFAOYSA-N
XLogP2.78
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
CID 84767792
3-(cyanomethyl)-5-methoxy-4-(trifluoromethyl)benzonitrile
CID 171031354
2-[6-chloro-3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 171003505
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
2-[2-(2-methoxyphenyl)-4-(trifluoromethyl)phenyl]acetonitrile
CID 172650232
2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile
CID 82503447
2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile
CID 170999109
[3-methoxy-2-(trifluoromethyl)phenyl]hydrazine
CID 130053332
2-(3-fluoro-2-methoxyphenyl)acetonitrile
CID 46737695
2-[5-(trifluoromethoxy)naphthalen-1-yl]acetonitrile
CID 166641126
1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
CID 46311607
2-[2-bromo-5-methoxy-4-(trifluoromethyl)phenyl]acetonitrile
CID 171008450

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile (CID 131869127) is 2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile is COc1cccc(CC#N)c1C(F)(F)F.
What is the InChIKey of 2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is NXVLSYPNVUZUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c1-15-8-4-2-3-7(5-6-14)9(8)10(11,12)13/h2-4H,5H2,1H3.
What are the key properties of 2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile?
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 215.17 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 131869127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).