6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene

C10H8F6 — CID 143436257

IUPAC6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC1=CC=C(C(F)(F)F)C=C(C(F)(F)F)C1
InChIInChI=1S/C10H8F6/c1-6-2-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h2-3,5H,4H2,1H3
InChIKeyFXODQWYZBOSMCI-UHFFFAOYSA-N
MW242.16 g/mol
LogP4.31
Rot. Bonds

About 6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene

6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 143436257) has the molecular formula C10H8F6 and a molecular weight of 242.16 g/mol. Its IUPAC name is 6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID143436257
Molecular FormulaC10H8F6
Molecular Weight242.16 g/mol
Exact Mass242.05
IUPAC Name6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC1=CC=C(C(F)(F)F)C=C(C(F)(F)F)C1
InChIInChI=1S/C10H8F6/c1-6-2-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h2-3,5H,4H2,1H3
InChIKeyFXODQWYZBOSMCI-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene
CID 91545932
1-methylcyclopropene;1-(trifluoromethyl)cyclopropene
CID 159098895
1-fluoro-4-methylcyclopenta-1,3-diene
CID 143604595
(E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane
CID 143856298
1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 59165307
CID 89190072
CID 89190072
1,1,3-trimethyl-5-(trifluoromethyl)-2H-pyridin-1-ium
CID 123991187
2-[4,6-bis(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-N-methylethanamine
CID 143596398
[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-[cyclopropyl(methyl)amino]azanide
CID 162597379
1-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 88998982
1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane
CID 142270014
3-(1,1-difluoroethyl)-5-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 162616932

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene (CID 143436257) is 6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene is CC1=CC=C(C(F)(F)F)C=C(C(F)(F)F)C1.
What is the InChIKey of 6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is FXODQWYZBOSMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6/c1-6-2-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h2-3,5H,4H2,1H3.
What are the key properties of 6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene has a molecular weight of 242.16 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 143436257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).