2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene

C11H16F2O — CID 71073041

IUPAC2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=C(F)C=C(C(C)C)C(C)C1F
InChIInChI=1S/C11H16F2O/c1-6(2)8-5-9(12)11(14-4)10(13)7(8)3/h5-7,10H,1-4H3
InChIKeyVGDJYFMURZDEJV-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.38
Rot. Bonds2

About 2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene

2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene (PubChem CID 71073041) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene
PubChem CID71073041
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=C(F)C=C(C(C)C)C(C)C1F
InChIInChI=1S/C11H16F2O/c1-6(2)8-5-9(12)11(14-4)10(13)7(8)3/h5-7,10H,1-4H3
InChIKeyVGDJYFMURZDEJV-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene (CID 71073041) is 2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene is COC1=C(F)C=C(C(C)C)C(C)C1F.
What is the InChIKey of 2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is VGDJYFMURZDEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c1-6(2)8-5-9(12)11(14-4)10(13)7(8)3/h5-7,10H,1-4H3.
What are the key properties of 2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene?
2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 202.24 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 71073041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).