7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene

C11H10F6 — CID 142140910

IUPAC7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC1(C)C=CC(C(F)(F)F)=CC=C1C(F)(F)F
InChIInChI=1S/C11H10F6/c1-9(2)6-5-7(10(12,13)14)3-4-8(9)11(15,16)17/h3-6H,1-2H3
InChIKeyALVDJCDXHKSTJF-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.56
Rot. Bonds

About 7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene

7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 142140910) has the molecular formula C11H10F6 and a molecular weight of 256.19 g/mol. Its IUPAC name is 7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID142140910
Molecular FormulaC11H10F6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC1(C)C=CC(C(F)(F)F)=CC=C1C(F)(F)F
InChIInChI=1S/C11H10F6/c1-9(2)6-5-7(10(12,13)14)3-4-8(9)11(15,16)17/h3-6H,1-2H3
InChIKeyALVDJCDXHKSTJF-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 70148604
6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 130437764
ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143137585
2-[3a-methyl-6-(trifluoromethyl)indol-3-yl]ethanol
CID 21099175
1,4-ditert-butyl-5,5-dimethylcyclopenta-1,3-diene
CID 158400827
azane;S-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]thiohydroxylamine
CID 166944543
4-[2-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methylcyclohexa-2,4-dien-1-amine
CID 139941668
1,4-dimethyl-2-(trifluoromethyl)cyclohexa-2,5-diene-1,4-dicarboxylic acid
CID 54367476
6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143436257
2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene
CID 134354765
1,4-dimethyl-2-(trifluoromethyl)cyclohexa-2,5-diene-1,4-dicarboxylate
CID 154175777
1,2,5,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene
CID 173291286

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene (CID 142140910) is 7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene is CC1(C)C=CC(C(F)(F)F)=CC=C1C(F)(F)F.
What is the InChIKey of 7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is ALVDJCDXHKSTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6/c1-9(2)6-5-7(10(12,13)14)3-4-8(9)11(15,16)17/h3-6H,1-2H3.
What are the key properties of 7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene has a molecular weight of 256.19 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,4-bis(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 142140910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).