1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene

C16H13F3O2 — CID 135029746

IUPAC1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cccc(OC/C=C/c2ccccc2)c1
InChIInChI=1S/C16H13F3O2/c17-16(18,19)21-15-10-4-9-14(12-15)20-11-5-8-13-6-2-1-3-7-13/h1-10,12H,11H2/b8-5+
InChIKeyCWEPQKMPMUCEGR-VMPITWQZSA-N
MW294.27 g/mol
LogP4.68
Rot. Bonds5

About 1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene

1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene (PubChem CID 135029746) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene
PubChem CID135029746
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cccc(OC/C=C/c2ccccc2)c1
InChIInChI=1S/C16H13F3O2/c17-16(18,19)21-15-10-4-9-14(12-15)20-11-5-8-13-6-2-1-3-7-13/h1-10,12H,11H2/b8-5+
InChIKeyCWEPQKMPMUCEGR-VMPITWQZSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-phenylprop-2-enoxy)benzaldehyde
CID 53409573
3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 131874378
1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
CID 18930258
[3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid
CID 43327904
1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]benzoic acid
CID 68669942
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
CID 132821616
(E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 146008205
N-methyl-4-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79591557
2-[3-(trifluoromethoxy)phenyl]ethenamine
CID 141333954
1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene (CID 135029746) is 1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene is FC(F)(F)Oc1cccc(OC/C=C/c2ccccc2)c1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene?
The InChIKey is CWEPQKMPMUCEGR-VMPITWQZSA-N. The full InChI is InChI=1S/C16H13F3O2/c17-16(18,19)21-15-10-4-9-14(12-15)20-11-5-8-13-6-2-1-3-7-13/h1-10,12H,11H2/b8-5+.
What are the key properties of 1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene?
1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene has a molecular weight of 294.27 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 135029746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).