2,6-difluoro-1-methoxycyclohexa-1,3-diene

C7H8F2O — CID 89129190

IUPAC2,6-difluoro-1-methoxycyclohexa-1,3-diene
SMILESCOC1=C(F)C=CCC1F
InChIInChI=1S/C7H8F2O/c1-10-7-5(8)3-2-4-6(7)9/h2-3,6H,4H2,1H3
InChIKeyFUMOEXKFEMELJK-UHFFFAOYSA-N
MW146.14 g/mol
LogP2.11
Rot. Bonds1

About 2,6-difluoro-1-methoxycyclohexa-1,3-diene

2,6-difluoro-1-methoxycyclohexa-1,3-diene (PubChem CID 89129190) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,6-difluoro-1-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-difluoro-1-methoxycyclohexa-1,3-diene
PubChem CID89129190
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name2,6-difluoro-1-methoxycyclohexa-1,3-diene
SMILESCOC1=C(F)C=CCC1F
InChIInChI=1S/C7H8F2O/c1-10-7-5(8)3-2-4-6(7)9/h2-3,6H,4H2,1H3
InChIKeyFUMOEXKFEMELJK-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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-methoxycyclohexa-1,3-diene?
The IUPAC name of 2,6-difluoro-1-methoxycyclohexa-1,3-diene (CID 89129190) is 2,6-difluoro-1-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 2,6-difluoro-1-methoxycyclohexa-1,3-diene?
The canonical SMILES for 2,6-difluoro-1-methoxycyclohexa-1,3-diene is COC1=C(F)C=CCC1F.
What is the InChIKey of 2,6-difluoro-1-methoxycyclohexa-1,3-diene?
The InChIKey is FUMOEXKFEMELJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c1-10-7-5(8)3-2-4-6(7)9/h2-3,6H,4H2,1H3.
What are the key properties of 2,6-difluoro-1-methoxycyclohexa-1,3-diene?
2,6-difluoro-1-methoxycyclohexa-1,3-diene has a molecular weight of 146.14 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 89129190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).