4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine

C6H6BrF2N — CID 139710133

IUPAC4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(F)(Br)C=C1F
InChIInChI=1S/C6H6BrF2N/c7-6(9)2-1-5(10)4(8)3-6/h1,3H,2,10H2
InChIKeyHMGVSDCOCIWJSG-UHFFFAOYSA-N
MW210.02 g/mol
LogP2.15
Rot. Bonds

About 4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine

4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine (PubChem CID 139710133) has the molecular formula C6H6BrF2N and a molecular weight of 210.02 g/mol. Its IUPAC name is 4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine
PubChem CID139710133
Molecular FormulaC6H6BrF2N
Molecular Weight210.02 g/mol
Exact Mass208.97
IUPAC Name4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(F)(Br)C=C1F
InChIInChI=1S/C6H6BrF2N/c7-6(9)2-1-5(10)4(8)3-6/h1,3H,2,10H2
InChIKeyHMGVSDCOCIWJSG-UHFFFAOYSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-2,6-difluorocyclohexa-2,4-dien-1-amine
CID 67117845
4-Bromo-4-fluorocyclohexa-1,5-dien-1-amine
CID 140501917
5,6-Dibromo-4,5-difluorocyclohexa-1,3-diene-1,2-diamine
CID 141308071
4-Bromo-2,4-difluorocyclohexa-1,5-dien-1-amine
CID 141478607
4-Bromo-2,6-difluorocyclohexa-1,3-dien-1-amine
CID 142381709
1-Bromo-4,6-difluorocyclohexa-2,4-dien-1-amine
CID 142763961
4-Bromo-2-fluorocyclohexa-1,3-dien-1-amine
CID 143706640
4,6-Difluorocyclohexa-1,5-dien-1-amine
CID 154552792
(4R)-6-bromo-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 155442179
5-Bromo-6,7-difluorocyclohepta-1,4,6-trien-1-amine
CID 164093151
5-Bromo-5-fluorocyclohexa-1,3-dien-1-amine
CID 164145583
1-Bromo-4,5-difluorocyclohexa-2,4-dien-1-amine
CID 168864371

Frequently Asked Questions

What is the IUPAC name of 4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine (CID 139710133) is 4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine is NC1=CCC(F)(Br)C=C1F.
What is the InChIKey of 4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine?
The InChIKey is HMGVSDCOCIWJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N/c7-6(9)2-1-5(10)4(8)3-6/h1,3H,2,10H2.
What are the key properties of 4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine?
4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine has a molecular weight of 210.02 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-4,6-difluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 139710133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).