[(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene

C12H11F3O — CID 102282204

IUPAC[(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene
SMILESC=C(OC/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H11F3O/c1-10(12(13,14)15)16-9-5-8-11-6-3-2-4-7-11/h2-8H,1,9H2/b8-5+
InChIKeyKJXWSNAMUUKELA-VMPITWQZSA-N
MW228.21 g/mol
LogP3.79
Rot. Bonds4

About [(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene

[(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene (PubChem CID 102282204) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is [(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene
PubChem CID102282204
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name[(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene
SMILESC=C(OC/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H11F3O/c1-10(12(13,14)15)16-9-5-8-11-6-3-2-4-7-11/h2-8H,1,9H2/b8-5+
InChIKeyKJXWSNAMUUKELA-VMPITWQZSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.79
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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Related Compounds

(3-Methoxy-1-propenyl)benzene
CID 5462920
Dicinnamyl ether
CID 54330493
O-ethyl (E)-3-phenylprop-2-enethioate
CID 5387444
Propyl Thionocinnamate
CID 20518035
(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
CID 10176582
Benzyl[(E)-4,4,4-trifluoro-2-butenyl] ether
CID 10910927
1-Methoxy-2-[4-(trifluoromethyl)phenyl]ethene
CID 21459450
{[(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)oxy]methyl}benzene
CID 23272911
2-(Benzyloxy)-3,3,3-trifluoro-1-propene
CID 102130486
2-[(E)-2-(4-fluorophenyl)ethenyl]oxolane
CID 102418770
(((2,2-Difluoroethenyl)oxy)methyl)benzene
CID 53483110
(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene?
The IUPAC name of [(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene (CID 102282204) is [(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene is C=C(OC/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene?
The InChIKey is KJXWSNAMUUKELA-VMPITWQZSA-N. The full InChI is InChI=1S/C12H11F3O/c1-10(12(13,14)15)16-9-5-8-11-6-3-2-4-7-11/h2-8H,1,9H2/b8-5+.
What are the key properties of [(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene?
[(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene has a molecular weight of 228.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-enyl]benzene is sourced from PubChem (CID 102282204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).