(1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene

C21H17F3 — CID 170397618

IUPAC(1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
SMILESFC(F)(F)c1ccc(-c2ccc(/C3=C/C=C\C=C/CC3)cc2)cc1
InChIInChI=1S/C21H17F3/c22-21(23,24)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-2-1-3-5-7-16/h1-4,6,8-15H,5,7H2/b3-1-,4-2-,16-6+
InChIKeyGMJRBMSCWPYJNQ-ZFOTZZAHSA-N
MW326.36 g/mol
LogP6.66
Rot. Bonds2

About (1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene

(1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene (PubChem CID 170397618) has the molecular formula C21H17F3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
PubChem CID170397618
Molecular FormulaC21H17F3
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name(1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
SMILESFC(F)(F)c1ccc(-c2ccc(/C3=C/C=C\C=C/CC3)cc2)cc1
InChIInChI=1S/C21H17F3/c22-21(23,24)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-2-1-3-5-7-16/h1-4,6,8-15H,5,7H2/b3-1-,4-2-,16-6+
InChIKeyGMJRBMSCWPYJNQ-ZFOTZZAHSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397812
(1E,3Z,5Z)-1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397624
(1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
CID 170402726
(1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397813
[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane
CID 174151682
(1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170402900
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166859893
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene
CID 173197381
dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium
CID 175896101
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene (CID 170397618) is (1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene is FC(F)(F)c1ccc(-c2ccc(/C3=C/C=C\C=C/CC3)cc2)cc1.
What is the InChIKey of (1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene?
The InChIKey is GMJRBMSCWPYJNQ-ZFOTZZAHSA-N. The full InChI is InChI=1S/C21H17F3/c22-21(23,24)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-2-1-3-5-7-16/h1-4,6,8-15H,5,7H2/b3-1-,4-2-,16-6+.
What are the key properties of (1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene?
(1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene has a molecular weight of 326.36 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene is sourced from PubChem (CID 170397618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).