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

C21H17F3 — CID 170402726

IUPAC(1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
SMILESFC(F)(F)c1cccc(-c2ccc(/C3=C/C=C\C=C/CC3)cc2)c1
InChIInChI=1S/C21H17F3/c22-21(23,24)20-10-6-9-19(15-20)18-13-11-17(12-14-18)16-7-4-2-1-3-5-8-16/h1-4,6-7,9-15H,5,8H2/b3-1-,4-2-,16-7+
InChIKeyMDJUXSDAOHHTEV-AMUOASHDSA-N
MW326.36 g/mol
LogP6.66
Rot. Bonds2

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

(1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene (PubChem CID 170402726) has the molecular formula C21H17F3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
PubChem CID170402726
Molecular FormulaC21H17F3
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name(1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
SMILESFC(F)(F)c1cccc(-c2ccc(/C3=C/C=C\C=C/CC3)cc2)c1
InChIInChI=1S/C21H17F3/c22-21(23,24)20-10-6-9-19(15-20)18-13-11-17(12-14-18)16-7-4-2-1-3-5-8-16/h1-4,6-7,9-15H,5,8H2/b3-1-,4-2-,16-7+
InChIKeyMDJUXSDAOHHTEV-AMUOASHDSA-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-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397813
(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-[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-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 174151684
[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane
CID 174151682
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine
CID 129216221

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene (CID 170402726) is (1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene is FC(F)(F)c1cccc(-c2ccc(/C3=C/C=C\C=C/CC3)cc2)c1.
What is the InChIKey of (1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene?
The InChIKey is MDJUXSDAOHHTEV-AMUOASHDSA-N. The full InChI is InChI=1S/C21H17F3/c22-21(23,24)20-10-6-9-19(15-20)18-13-11-17(12-14-18)16-7-4-2-1-3-5-8-16/h1-4,6-7,9-15H,5,8H2/b3-1-,4-2-,16-7+.
What are the key properties of (1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene?
(1E,3Z,5Z)-1-[4-[3-(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-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene is sourced from PubChem (CID 170402726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).