1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene

C10H9F3O — CID 21459450

IUPAC1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene
SMILESCO/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O/c1-14-7-6-8-2-4-9(5-3-8)10(11,12)13/h2-7H,1H3/b7-6+
InChIKeyHUQMISIKLCJQFD-VOTSOKGWSA-N
MW202.17 g/mol
LogP3.32
Rot. Bonds2

About 1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene

1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene (PubChem CID 21459450) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene
PubChem CID21459450
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene
SMILESCO/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O/c1-14-7-6-8-2-4-9(5-3-8)10(11,12)13/h2-7H,1H3/b7-6+
InChIKeyHUQMISIKLCJQFD-VOTSOKGWSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene (CID 21459450) is 1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene is CO/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene?
The InChIKey is HUQMISIKLCJQFD-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H9F3O/c1-14-7-6-8-2-4-9(5-3-8)10(11,12)13/h2-7H,1H3/b7-6+.
What are the key properties of 1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene?
1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene has a molecular weight of 202.17 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 21459450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).