1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene

C13H13F3O — CID 11253515

IUPAC1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene
SMILESC=CC(OCC(=C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H13F3O/c1-3-12(11-7-5-4-6-8-11)17-9-10(2)13(14,15)16/h3-8,12H,1-2,9H2
InChIKeyDVJLZLVVVXFOJQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP4.05
Rot. Bonds5

About 1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene

1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene (PubChem CID 11253515) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene
PubChem CID11253515
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene
SMILESC=CC(OCC(=C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H13F3O/c1-3-12(11-7-5-4-6-8-11)17-9-10(2)13(14,15)16/h3-8,12H,1-2,9H2
InChIKeyDVJLZLVVVXFOJQ-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 54.05
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

1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene
CID 67821654
1-phenoxyprop-2-enylbenzene
CID 11735962
1-methoxyprop-2-enylbenzene
CID 11029990
1-nonadecoxyprop-2-enylbenzene
CID 139672742
1-tridecoxyprop-2-enylbenzene
CID 139672746
1-fluoro-4-(1-phenylmethoxyprop-2-enyl)benzene
CID 46944297
2-(1-phenylprop-2-enoxymethyl)oxirane
CID 22186254
3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene
CID 102284617
1-phenylprop-2-enyl cyclopent-3-ene-1-carboxylate
CID 68786190
1-ethenylperoxyprop-2-enylbenzene
CID 88766923
1-chloroprop-2-enylbenzene
CID 11768772
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene?
The IUPAC name of 1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene (CID 11253515) is 1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene.
What is the SMILES notation for 1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene?
The canonical SMILES for 1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene is C=CC(OCC(=C)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene?
The InChIKey is DVJLZLVVVXFOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c1-3-12(11-7-5-4-6-8-11)17-9-10(2)13(14,15)16/h3-8,12H,1-2,9H2.
What are the key properties of 1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene?
1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene has a molecular weight of 242.24 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene is sourced from PubChem (CID 11253515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).