1-bromo-6-fluorocyclohexa-1,3-diene

C6H6BrF — CID 89109579

IUPAC1-bromo-6-fluorocyclohexa-1,3-diene
SMILESFC1CC=CC=C1Br
InChIInChI=1S/C6H6BrF/c7-5-3-1-2-4-6(5)8/h1-3,6H,4H2
InChIKeyAIPWOUNVVZGNOH-UHFFFAOYSA-N
MW177.02 g/mol
LogP2.56
Rot. Bonds

About 1-bromo-6-fluorocyclohexa-1,3-diene

1-bromo-6-fluorocyclohexa-1,3-diene (PubChem CID 89109579) has the molecular formula C6H6BrF and a molecular weight of 177.02 g/mol. Its IUPAC name is 1-bromo-6-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-bromo-6-fluorocyclohexa-1,3-diene
PubChem CID89109579
Molecular FormulaC6H6BrF
Molecular Weight177.02 g/mol
Exact Mass175.96
IUPAC Name1-bromo-6-fluorocyclohexa-1,3-diene
SMILESFC1CC=CC=C1Br
InChIInChI=1S/C6H6BrF/c7-5-3-1-2-4-6(5)8/h1-3,6H,4H2
InChIKeyAIPWOUNVVZGNOH-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.02
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Bromo-2-fluorostyrene
CID 139947640
1,3-Cyclohexadiene, 2-bromo
CID 527551
1,3-Dibromo[3h]benzene
CID 21614366
5,6-Dibromocyclohexa-1,3-diene
CID 76541309
5-Bromo-2,6-difluorocyclohexa-1,3-diene
CID 17859847
5-Bromo-2,6,6-trifluorocyclohexa-1,3-diene
CID 18429011
5-Bromo-1-fluorocyclohexa-1,3-diene
CID 18696359
1-Bromo-2-fluorocyclohexa-1,3-diene
CID 19428237
1-Bromo-4-fluorocyclohexa-1,3-diene
CID 21614367
1-Bromo-3-fluorocyclohexa-1,3-diene
CID 21892139
1-Bromo-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22041247
2-Bromo-3-fluorocyclohexa-1,3-diene
CID 22418558

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-fluorocyclohexa-1,3-diene?
The IUPAC name of 1-bromo-6-fluorocyclohexa-1,3-diene (CID 89109579) is 1-bromo-6-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-bromo-6-fluorocyclohexa-1,3-diene?
The canonical SMILES for 1-bromo-6-fluorocyclohexa-1,3-diene is FC1CC=CC=C1Br.
What is the InChIKey of 1-bromo-6-fluorocyclohexa-1,3-diene?
The InChIKey is AIPWOUNVVZGNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF/c7-5-3-1-2-4-6(5)8/h1-3,6H,4H2.
What are the key properties of 1-bromo-6-fluorocyclohexa-1,3-diene?
1-bromo-6-fluorocyclohexa-1,3-diene has a molecular weight of 177.02 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 89109579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).