2-bromo-1,4-difluorocyclohexa-1,3-diene

C6H5BrF2 — CID 23056437

IUPAC2-bromo-1,4-difluorocyclohexa-1,3-diene
SMILESFC1=CC(Br)=C(F)CC1
InChIInChI=1S/C6H5BrF2/c7-5-3-4(8)1-2-6(5)9/h3H,1-2H2
InChIKeyCFBCKVKPLQHBTI-UHFFFAOYSA-N
MW195.01 g/mol
LogP3.21
Rot. Bonds

About 2-bromo-1,4-difluorocyclohexa-1,3-diene

2-bromo-1,4-difluorocyclohexa-1,3-diene (PubChem CID 23056437) has the molecular formula C6H5BrF2 and a molecular weight of 195.01 g/mol. Its IUPAC name is 2-bromo-1,4-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-bromo-1,4-difluorocyclohexa-1,3-diene
PubChem CID23056437
Molecular FormulaC6H5BrF2
Molecular Weight195.01 g/mol
Exact Mass193.95
IUPAC Name2-bromo-1,4-difluorocyclohexa-1,3-diene
SMILESFC1=CC(Br)=C(F)CC1
InChIInChI=1S/C6H5BrF2/c7-5-3-4(8)1-2-6(5)9/h3H,1-2H2
InChIKeyCFBCKVKPLQHBTI-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.01
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-difluorocyclohexa-1,3-diene?
The IUPAC name of 2-bromo-1,4-difluorocyclohexa-1,3-diene (CID 23056437) is 2-bromo-1,4-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-bromo-1,4-difluorocyclohexa-1,3-diene?
The canonical SMILES for 2-bromo-1,4-difluorocyclohexa-1,3-diene is FC1=CC(Br)=C(F)CC1.
What is the InChIKey of 2-bromo-1,4-difluorocyclohexa-1,3-diene?
The InChIKey is CFBCKVKPLQHBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2/c7-5-3-4(8)1-2-6(5)9/h3H,1-2H2.
What are the key properties of 2-bromo-1,4-difluorocyclohexa-1,3-diene?
2-bromo-1,4-difluorocyclohexa-1,3-diene has a molecular weight of 195.01 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 23056437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).