About 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene
1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene (PubChem CID 142247675) has the molecular formula C30H27F9
and a molecular weight of 558.53 g/mol. Its IUPAC name is 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene.
Molecular Properties
| Compound Name | 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene |
|---|
| PubChem CID | 142247675 |
|---|
| Molecular Formula | C30H27F9 |
|---|
| Molecular Weight | 558.53 g/mol |
|---|
| Exact Mass | 558.20 |
|---|
| IUPAC Name | 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene |
|---|
| SMILES | C/C=C/c1ccc(C(F)(F)F)c(-c2cc(C(F)(F)F)c(-c3cc(C(F)(F)F)ccc3CCC)cc2CCC)c1 |
|---|
| InChI | InChI=1S/C30H27F9/c1-4-7-18-10-13-26(29(34,35)36)24(14-18)23-17-27(30(37,38)39)25(15-20(23)9-6-3)22-16-21(28(31,32)33)12-11-19(22)8-5-2/h4,7,10-17H,5-6,8-9H2,1-3H3/b7-4+ |
|---|
| InChIKey | UUBGHKLNENIOQQ-QPJJXVBHSA-N |
|---|
| XLogP | 11.02 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 558.53 |
| LogP ≤ 5 | 11.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Analyze 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene?
The IUPAC name of 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene (CID 142247675) is 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene is C/C=C/c1ccc(C(F)(F)F)c(-c2cc(C(F)(F)F)c(-c3cc(C(F)(F)F)ccc3CCC)cc2CCC)c1.
What is the InChIKey of 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene?
The InChIKey is UUBGHKLNENIOQQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C30H27F9/c1-4-7-18-10-13-26(29(34,35)36)24(14-18)23-17-27(30(37,38)39)25(15-20(23)9-6-3)22-16-21(28(31,32)33)12-11-19(22)8-5-2/h4,7,10-17H,5-6,8-9H2,1-3H3/b7-4+.
What are the key properties of 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene?
1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene has a molecular weight of 558.53 g/mol, XLogP of 11.02, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene is sourced from PubChem (CID 142247675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).