2-bromo-5,7-difluorocyclohepta-1,3,5-triene

C7H5BrF2 — CID 142881219

IUPAC2-bromo-5,7-difluorocyclohepta-1,3,5-triene
SMILESFC1=CC(F)C=C(Br)C=C1
InChIInChI=1S/C7H5BrF2/c8-5-1-2-6(9)4-7(10)3-5/h1-4,7H
InChIKeyYPMFKNFEIIZGLT-UHFFFAOYSA-N
MW207.02 g/mol
LogP3.03
Rot. Bonds

About 2-bromo-5,7-difluorocyclohepta-1,3,5-triene

2-bromo-5,7-difluorocyclohepta-1,3,5-triene (PubChem CID 142881219) has the molecular formula C7H5BrF2 and a molecular weight of 207.02 g/mol. Its IUPAC name is 2-bromo-5,7-difluorocyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-bromo-5,7-difluorocyclohepta-1,3,5-triene
PubChem CID142881219
Molecular FormulaC7H5BrF2
Molecular Weight207.02 g/mol
Exact Mass205.95
IUPAC Name2-bromo-5,7-difluorocyclohepta-1,3,5-triene
SMILESFC1=CC(F)C=C(Br)C=C1
InChIInChI=1S/C7H5BrF2/c8-5-1-2-6(9)4-7(10)3-5/h1-4,7H
InChIKeyYPMFKNFEIIZGLT-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,7-difluorocyclohepta-1,3,5-triene?
The IUPAC name of 2-bromo-5,7-difluorocyclohepta-1,3,5-triene (CID 142881219) is 2-bromo-5,7-difluorocyclohepta-1,3,5-triene.
What is the SMILES notation for 2-bromo-5,7-difluorocyclohepta-1,3,5-triene?
The canonical SMILES for 2-bromo-5,7-difluorocyclohepta-1,3,5-triene is FC1=CC(F)C=C(Br)C=C1.
What is the InChIKey of 2-bromo-5,7-difluorocyclohepta-1,3,5-triene?
The InChIKey is YPMFKNFEIIZGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2/c8-5-1-2-6(9)4-7(10)3-5/h1-4,7H.
What are the key properties of 2-bromo-5,7-difluorocyclohepta-1,3,5-triene?
2-bromo-5,7-difluorocyclohepta-1,3,5-triene has a molecular weight of 207.02 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,7-difluorocyclohepta-1,3,5-triene is sourced from PubChem (CID 142881219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).