2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene

C10H9F3O — CID 167531102

IUPAC2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene
SMILESC=Cc1cc(OC)ccc1C(F)(F)F
InChIInChI=1S/C10H9F3O/c1-3-7-6-8(14-2)4-5-9(7)10(11,12)13/h3-6H,1H2,2H3
InChIKeyNYKSJNWWJUCJCY-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.36
Rot. Bonds2

About 2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene

2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene (PubChem CID 167531102) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene
PubChem CID167531102
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene
SMILESC=Cc1cc(OC)ccc1C(F)(F)F
InChIInChI=1S/C10H9F3O/c1-3-7-6-8(14-2)4-5-9(7)10(11,12)13/h3-6H,1H2,2H3
InChIKeyNYKSJNWWJUCJCY-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[4-methoxy-2-(trifluoromethyl)phenyl]but-3-en-2-ol
CID 125449632
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
1-[4-methoxy-2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 130319279
methyl 2-[3-ethenyl-4-(trifluoromethyl)phenyl]acetate
CID 58973601
2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117337731
2,2-dibromo-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetaldehyde
CID 87516080
1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 175665810
dibromo-[5-methoxy-2-(trifluoromethyl)phenyl]phosphane
CID 23135573
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
CID 46311605
tert-butyl-(2-ethenyl-4-methoxyphenoxy)-dimethylsilane
CID 10945326
2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene
CID 91876148

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene?
The IUPAC name of 2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene (CID 167531102) is 2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene is C=Cc1cc(OC)ccc1C(F)(F)F.
What is the InChIKey of 2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene?
The InChIKey is NYKSJNWWJUCJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-3-7-6-8(14-2)4-5-9(7)10(11,12)13/h3-6H,1H2,2H3.
What are the key properties of 2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene?
2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene has a molecular weight of 202.17 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene is sourced from PubChem (CID 167531102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).