2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene

C7H7BrF2O — CID 150768324

IUPAC2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene
SMILESCOC1(F)C=C(Br)C=CC1F
InChIInChI=1S/C7H7BrF2O/c1-11-7(10)4-5(8)2-3-6(7)9/h2-4,6H,1H3
InChIKeyJZHVGWGHLQPXOD-UHFFFAOYSA-N
MW225.03 g/mol
LogP2.49
Rot. Bonds1

About 2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene

2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene (PubChem CID 150768324) has the molecular formula C7H7BrF2O and a molecular weight of 225.03 g/mol. Its IUPAC name is 2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene
PubChem CID150768324
Molecular FormulaC7H7BrF2O
Molecular Weight225.03 g/mol
Exact Mass223.96
IUPAC Name2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene
SMILESCOC1(F)C=C(Br)C=CC1F
InChIInChI=1S/C7H7BrF2O/c1-11-7(10)4-5(8)2-3-6(7)9/h2-4,6H,1H3
InChIKeyJZHVGWGHLQPXOD-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene?
The IUPAC name of 2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene (CID 150768324) is 2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene?
The canonical SMILES for 2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene is COC1(F)C=C(Br)C=CC1F.
What is the InChIKey of 2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene?
The InChIKey is JZHVGWGHLQPXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2O/c1-11-7(10)4-5(8)2-3-6(7)9/h2-4,6H,1H3.
What are the key properties of 2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene?
2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene has a molecular weight of 225.03 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6-difluoro-6-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 150768324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).