ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene

C19H25F3 — CID 143137585

IUPACethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC.CC.Cc1ccc(C2=CC=C(C(F)(F)F)C=CC2)cc1
InChIInChI=1S/C15H13F3.2C2H6/c1-11-5-7-13(8-6-11)12-3-2-4-14(10-9-12)15(16,17)18;2*1-2/h2,4-10H,3H2,1H3;2*1-2H3
InChIKeyTUQIWXFNGDVGFX-UHFFFAOYSA-N
MW310.40 g/mol
LogP6.88
Rot. Bonds1

About ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene

ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 143137585) has the molecular formula C19H25F3 and a molecular weight of 310.40 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID143137585
Molecular FormulaC19H25F3
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Nameethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC.CC.Cc1ccc(C2=CC=C(C(F)(F)F)C=CC2)cc1
InChIInChI=1S/C15H13F3.2C2H6/c1-11-5-7-13(8-6-11)12-3-2-4-14(10-9-12)15(16,17)18;2*1-2/h2,4-10H,3H2,1H3;2*1-2H3
InChIKeyTUQIWXFNGDVGFX-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126
1-(4-bromophenyl)-4-methylcyclohepta-1,3,5-triene
CID 142964988
azane;S-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]thiohydroxylamine
CID 166944543
6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 137159213
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene
CID 143114123
1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 123336258
dichloro(difluoro)methane;1,4-xylene
CID 161479390
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
ethane;1-methyl-4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]benzene
CID 165055887
3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one
CID 162535578
(4-methylphenyl)-[4-(4-methylphenyl)azanidylphenyl]azanide;bis(yttrium)
CID 140602040

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene (CID 143137585) is ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene is CC.CC.Cc1ccc(C2=CC=C(C(F)(F)F)C=CC2)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is TUQIWXFNGDVGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3.2C2H6/c1-11-5-7-13(8-6-11)12-3-2-4-14(10-9-12)15(16,17)18;2*1-2/h2,4-10H,3H2,1H3;2*1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene has a molecular weight of 310.40 g/mol, XLogP of 6.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 143137585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).