2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene

C8H7F5 — CID 154523003

IUPAC2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=CC(F)=C(C(F)(F)F)C(F)C1
InChIInChI=1S/C8H7F5/c1-4-2-5(9)7(6(10)3-4)8(11,12)13/h2,6H,3H2,1H3
InChIKeyDWWLVJBMRJGNEU-UHFFFAOYSA-N
MW198.13 g/mol
LogP3.46
Rot. Bonds

About 2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene

2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 154523003) has the molecular formula C8H7F5 and a molecular weight of 198.13 g/mol. Its IUPAC name is 2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID154523003
Molecular FormulaC8H7F5
Molecular Weight198.13 g/mol
Exact Mass198.05
IUPAC Name2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=CC(F)=C(C(F)(F)F)C(F)C1
InChIInChI=1S/C8H7F5/c1-4-2-5(9)7(6(10)3-4)8(11,12)13/h2,6H,3H2,1H3
InChIKeyDWWLVJBMRJGNEU-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene (CID 154523003) is 2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene is CC1=CC(F)=C(C(F)(F)F)C(F)C1.
What is the InChIKey of 2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is DWWLVJBMRJGNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5/c1-4-2-5(9)7(6(10)3-4)8(11,12)13/h2,6H,3H2,1H3.
What are the key properties of 2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 198.13 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 154523003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).