1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene

C9H10F4O2 — CID 139556977

IUPAC1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)C(C)(OC)C(F)=C1F
InChIInChI=1S/C9H10F4O2/c1-9(15-3)7(12)4(10)6(14-2)5(11)8(9)13/h7H,1-3H3
InChIKeyFWZHZWOOUOCBME-UHFFFAOYSA-N
MW226.17 g/mol
LogP2.72
Rot. Bonds2

About 1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene

1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene (PubChem CID 139556977) has the molecular formula C9H10F4O2 and a molecular weight of 226.17 g/mol. Its IUPAC name is 1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene
PubChem CID139556977
Molecular FormulaC9H10F4O2
Molecular Weight226.17 g/mol
Exact Mass226.06
IUPAC Name1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)C(C)(OC)C(F)=C1F
InChIInChI=1S/C9H10F4O2/c1-9(15-3)7(12)4(10)6(14-2)5(11)8(9)13/h7H,1-3H3
InChIKeyFWZHZWOOUOCBME-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene?
The IUPAC name of 1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene (CID 139556977) is 1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene is COC1=C(F)C(F)C(C)(OC)C(F)=C1F.
What is the InChIKey of 1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene?
The InChIKey is FWZHZWOOUOCBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O2/c1-9(15-3)7(12)4(10)6(14-2)5(11)8(9)13/h7H,1-3H3.
What are the key properties of 1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene?
1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene has a molecular weight of 226.17 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetrafluoro-2,5-dimethoxy-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 139556977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).