4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol

C6H5BrF2O — CID 90421358

IUPAC4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol
SMILESOC1(F)CC=C(Br)C=C1F
InChIInChI=1S/C6H5BrF2O/c7-4-1-2-6(9,10)5(8)3-4/h1,3,10H,2H2
InChIKeyJRNGXWGZIQZLNO-UHFFFAOYSA-N
MW211.00 g/mol
LogP2.18
Rot. Bonds

About 4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol

4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol (PubChem CID 90421358) has the molecular formula C6H5BrF2O and a molecular weight of 211.00 g/mol. Its IUPAC name is 4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol
PubChem CID90421358
Molecular FormulaC6H5BrF2O
Molecular Weight211.00 g/mol
Exact Mass209.95
IUPAC Name4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol
SMILESOC1(F)CC=C(Br)C=C1F
InChIInChI=1S/C6H5BrF2O/c7-4-1-2-6(9,10)5(8)3-4/h1,3,10H,2H2
InChIKeyJRNGXWGZIQZLNO-UHFFFAOYSA-N
XLogP2.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.00
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol (CID 90421358) is 4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol is OC1(F)CC=C(Br)C=C1F.
What is the InChIKey of 4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol?
The InChIKey is JRNGXWGZIQZLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2O/c7-4-1-2-6(9,10)5(8)3-4/h1,3,10H,2H2.
What are the key properties of 4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol?
4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol has a molecular weight of 211.00 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,2-difluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 90421358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).