ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene

C23H40F4 — CID 143383133

IUPACethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene
SMILESC=C(C)/C=C\C(=C)F.CC.CC.CC.CC.Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3.C7H9F.4C2H6/c1-6-2-4-7(5-3-6)8(9,10)11;1-6(2)4-5-7(3)8;4*1-2/h2-5H,1H3;4-5H,1,3H2,2H3;4*1-2H3/b;5-4-;;;;
InChIKeyGAYMCYPNERYKHI-ZNXYVDIPSA-N
MW392.57 g/mol
LogP9.72
Rot. Bonds2

About ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene

ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene (PubChem CID 143383133) has the molecular formula C23H40F4 and a molecular weight of 392.57 g/mol. Its IUPAC name is ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene
PubChem CID143383133
Molecular FormulaC23H40F4
Molecular Weight392.57 g/mol
Exact Mass392.31
IUPAC Nameethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene
SMILESC=C(C)/C=C\C(=C)F.CC.CC.CC.CC.Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3.C7H9F.4C2H6/c1-6-2-4-7(5-3-6)8(9,10)11;1-6(2)4-5-7(3)8;4*1-2/h2-5H,1H3;4-5H,1,3H2,2H3;4*1-2H3/b;5-4-;;;;
InChIKeyGAYMCYPNERYKHI-ZNXYVDIPSA-N
XLogP9.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene
CID 144678741
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
(3Z)-2-bromo-5-methylhexa-1,3,5-triene;ethane;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 153344452
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
ethane;toluene;trifluoromethylbenzene
CID 161105309
ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
CID 144729160
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
CID 145089374
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene (CID 143383133) is ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene is C=C(C)/C=C\C(=C)F.CC.CC.CC.CC.Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene?
The InChIKey is GAYMCYPNERYKHI-ZNXYVDIPSA-N. The full InChI is InChI=1S/C8H7F3.C7H9F.4C2H6/c1-6-2-4-7(5-3-6)8(9,10)11;1-6(2)4-5-7(3)8;4*1-2/h2-5H,1H3;4-5H,1,3H2,2H3;4*1-2H3/b;5-4-;;;;.
What are the key properties of ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene?
ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene has a molecular weight of 392.57 g/mol, XLogP of 9.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 143383133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).