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

C10H8F6 — CID 142197645

IUPAC3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC1=CC(C(F)(F)F)=CCC(C(F)(F)F)=C1
InChIInChI=1S/C10H8F6/c1-6-4-7(9(11,12)13)2-3-8(5-6)10(14,15)16/h2,4-5H,3H2,1H3
InChIKeyWMKUMUMRUFILLU-UHFFFAOYSA-N
MW242.16 g/mol
LogP4.31
Rot. Bonds

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

3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 142197645) has the molecular formula C10H8F6 and a molecular weight of 242.16 g/mol. Its IUPAC name is 3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID142197645
Molecular FormulaC10H8F6
Molecular Weight242.16 g/mol
Exact Mass242.05
IUPAC Name3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC1=CC(C(F)(F)F)=CCC(C(F)(F)F)=C1
InChIInChI=1S/C10H8F6/c1-6-4-7(9(11,12)13)2-3-8(5-6)10(14,15)16/h2,4-5H,3H2,1H3
InChIKeyWMKUMUMRUFILLU-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

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CID 71429349
3-Methyl-1,1-bis(trifluoromethyl)butadiene
CID 85822569
4-Methyl-2-trifluoromethylpentadiene
CID 90166011
5,5,6,6,7,7,7-Heptafluoro-2-methyl-2-heptene
CID 24973628
5,5,6,6,6-Pentafluoro-2-methylhex-2-ene
CID 86128587
5,6,6,6-Tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene
CID 86128591
2-(Trifluoromethyl)cyclohepta-1,3-diene
CID 152831330
3-Methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 18760372
2-Methyl-1,3-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 18940346
1-Methyl-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 19892255
(2E,4E)-1,1,1-trifluoro-2,3,4-trimethylhexa-2,4-diene
CID 20607797
2-Methyl-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21612766

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene (CID 142197645) is 3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene is CC1=CC(C(F)(F)F)=CCC(C(F)(F)F)=C1.
What is the InChIKey of 3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is WMKUMUMRUFILLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6/c1-6-4-7(9(11,12)13)2-3-8(5-6)10(14,15)16/h2,4-5H,3H2,1H3.
What are the key properties of 3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene?
3-methyl-1,5-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 3-methyl-1,5-bis(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 142197645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).