1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene

C9H6F8O2 — CID 90179549

IUPAC1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene
SMILESFCOC1=CC(F)=C(C(F)(F)OC(F)(F)F)C(F)C1
InChIInChI=1S/C9H6F8O2/c10-3-18-4-1-5(11)7(6(12)2-4)8(13,14)19-9(15,16)17/h1,6H,2-3H2
InChIKeyGPFFROIQBDGRPW-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.91
Rot. Bonds4

About 1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene

1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene (PubChem CID 90179549) has the molecular formula C9H6F8O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene
PubChem CID90179549
Molecular FormulaC9H6F8O2
Molecular Weight298.13 g/mol
Exact Mass298.02
IUPAC Name1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene
SMILESFCOC1=CC(F)=C(C(F)(F)OC(F)(F)F)C(F)C1
InChIInChI=1S/C9H6F8O2/c10-3-18-4-1-5(11)7(6(12)2-4)8(13,14)19-9(15,16)17/h1,6H,2-3H2
InChIKeyGPFFROIQBDGRPW-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene (CID 90179549) is 1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene is FCOC1=CC(F)=C(C(F)(F)OC(F)(F)F)C(F)C1.
What is the InChIKey of 1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is GPFFROIQBDGRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F8O2/c10-3-18-4-1-5(11)7(6(12)2-4)8(13,14)19-9(15,16)17/h1,6H,2-3H2.
What are the key properties of 1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene?
1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 298.13 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(trifluoromethoxy)methyl]-2,6-difluoro-4-(fluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 90179549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).