1,2-difluoro-4-methoxycyclohexa-1,3-diene

C7H8F2O — CID 123811922

IUPAC1,2-difluoro-4-methoxycyclohexa-1,3-diene
SMILESCOC1=CC(F)=C(F)CC1
InChIInChI=1S/C7H8F2O/c1-10-5-2-3-6(8)7(9)4-5/h4H,2-3H2,1H3
InChIKeyPBKZKJGZRGQWLN-UHFFFAOYSA-N
MW146.14 g/mol
LogP2.46
Rot. Bonds1

About 1,2-difluoro-4-methoxycyclohexa-1,3-diene

1,2-difluoro-4-methoxycyclohexa-1,3-diene (PubChem CID 123811922) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 1,2-difluoro-4-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-difluoro-4-methoxycyclohexa-1,3-diene
PubChem CID123811922
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name1,2-difluoro-4-methoxycyclohexa-1,3-diene
SMILESCOC1=CC(F)=C(F)CC1
InChIInChI=1S/C7H8F2O/c1-10-5-2-3-6(8)7(9)4-5/h4H,2-3H2,1H3
InChIKeyPBKZKJGZRGQWLN-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,2-difluoro-4-methoxycyclohexa-1,3-diene (CID 123811922) is 1,2-difluoro-4-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,2-difluoro-4-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,2-difluoro-4-methoxycyclohexa-1,3-diene is COC1=CC(F)=C(F)CC1.
What is the InChIKey of 1,2-difluoro-4-methoxycyclohexa-1,3-diene?
The InChIKey is PBKZKJGZRGQWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c1-10-5-2-3-6(8)7(9)4-5/h4H,2-3H2,1H3.
What are the key properties of 1,2-difluoro-4-methoxycyclohexa-1,3-diene?
1,2-difluoro-4-methoxycyclohexa-1,3-diene has a molecular weight of 146.14 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 123811922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).