1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene

C26H23F5 — CID 58953402

IUPAC1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene
SMILESCCC/C=C/c1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)c(F)c1C(F)(F)F
InChIInChI=1S/C26H23F5/c1-3-5-6-7-19-12-15-22(25(28)24(19)26(29,30)31)20-13-14-21(23(27)16-20)18-10-8-17(4-2)9-11-18/h6-16H,3-5H2,1-2H3/b7-6+
InChIKeyPDAAIASDQLKZDN-VOTSOKGWSA-N
MW430.46 g/mol
LogP8.69
Rot. Bonds6

About 1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene

1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene (PubChem CID 58953402) has the molecular formula C26H23F5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene
PubChem CID58953402
Molecular FormulaC26H23F5
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene
SMILESCCC/C=C/c1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)c(F)c1C(F)(F)F
InChIInChI=1S/C26H23F5/c1-3-5-6-7-19-12-15-22(25(28)24(19)26(29,30)31)20-13-14-21(23(27)16-20)18-10-8-17(4-2)9-11-18/h6-16H,3-5H2,1-2H3/b7-6+
InChIKeyPDAAIASDQLKZDN-VOTSOKGWSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene (CID 58953402) is 1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene is CCC/C=C/c1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)c(F)c1C(F)(F)F.
What is the InChIKey of 1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene?
The InChIKey is PDAAIASDQLKZDN-VOTSOKGWSA-N. The full InChI is InChI=1S/C26H23F5/c1-3-5-6-7-19-12-15-22(25(28)24(19)26(29,30)31)20-13-14-21(23(27)16-20)18-10-8-17(4-2)9-11-18/h6-16H,3-5H2,1-2H3/b7-6+.
What are the key properties of 1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene?
1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene has a molecular weight of 430.46 g/mol, XLogP of 8.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenyl)-3-fluorophenyl]-2-fluoro-4-[(E)-pent-1-enyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 58953402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).