6-bromo-6-fluorocyclohexa-2,4-dien-1-amine

C6H7BrFN — CID 67156955

IUPAC6-bromo-6-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1(F)Br
InChIInChI=1S/C6H7BrFN/c7-6(8)4-2-1-3-5(6)9/h1-5H,9H2
InChIKeyVGHZADFJCTUNLX-UHFFFAOYSA-N
MW192.03 g/mol
LogP1.50
Rot. Bonds

About 6-bromo-6-fluorocyclohexa-2,4-dien-1-amine

6-bromo-6-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 67156955) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is 6-bromo-6-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-bromo-6-fluorocyclohexa-2,4-dien-1-amine
PubChem CID67156955
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name6-bromo-6-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1(F)Br
InChIInChI=1S/C6H7BrFN/c7-6(8)4-2-1-3-5(6)9/h1-5H,9H2
InChIKeyVGHZADFJCTUNLX-UHFFFAOYSA-N
XLogP1.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-6-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-bromo-6-fluorocyclohexa-2,4-dien-1-amine (CID 67156955) is 6-bromo-6-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-bromo-6-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-bromo-6-fluorocyclohexa-2,4-dien-1-amine is NC1C=CC=CC1(F)Br.
What is the InChIKey of 6-bromo-6-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is VGHZADFJCTUNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFN/c7-6(8)4-2-1-3-5(6)9/h1-5H,9H2.
What are the key properties of 6-bromo-6-fluorocyclohexa-2,4-dien-1-amine?
6-bromo-6-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 192.03 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-6-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67156955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).