2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene

C13H15F3O — CID 83921215

IUPAC2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
SMILESC=CCCc1cc(C(F)(F)F)ccc1OCC
InChIInChI=1S/C13H15F3O/c1-3-5-6-10-9-11(13(14,15)16)7-8-12(10)17-4-2/h3,7-9H,1,4-6H2,2H3
InChIKeyVVGHKCMHXKHWLO-UHFFFAOYSA-N
MW244.26 g/mol
LogP4.22
Rot. Bonds5

About 2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene

2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene (PubChem CID 83921215) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
PubChem CID83921215
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
SMILESC=CCCc1cc(C(F)(F)F)ccc1OCC
InChIInChI=1S/C13H15F3O/c1-3-5-6-10-9-11(13(14,15)16)7-8-12(10)17-4-2/h3,7-9H,1,4-6H2,2H3
InChIKeyVVGHKCMHXKHWLO-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-but-3-enyl-1-ethoxy-4-fluorobenzene
CID 83944059
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
CID 83921161
1-but-3-enyl-4,5-diethoxy-2-fluorobenzene
CID 83923126
1-bromo-3-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616279
4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole
CID 112717101
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 83921264
2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380765
4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
CID 83935474

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene?
The IUPAC name of 2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene (CID 83921215) is 2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene is C=CCCc1cc(C(F)(F)F)ccc1OCC.
What is the InChIKey of 2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene?
The InChIKey is VVGHKCMHXKHWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-3-5-6-10-9-11(13(14,15)16)7-8-12(10)17-4-2/h3,7-9H,1,4-6H2,2H3.
What are the key properties of 2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene?
2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene has a molecular weight of 244.26 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 83921215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).