4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine

C7H9BrFNO — CID 123852256

IUPAC4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=CC(Br)=CC(F)C1N
InChIInChI=1S/C7H9BrFNO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3,5,7H,10H2,1H3
InChIKeyJDHBRAQAECEDCF-UHFFFAOYSA-N
MW222.06 g/mol
LogP1.47
Rot. Bonds1

About 4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine

4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine (PubChem CID 123852256) has the molecular formula C7H9BrFNO and a molecular weight of 222.06 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine
PubChem CID123852256
Molecular FormulaC7H9BrFNO
Molecular Weight222.06 g/mol
Exact Mass220.99
IUPAC Name4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=CC(Br)=CC(F)C1N
InChIInChI=1S/C7H9BrFNO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3,5,7H,10H2,1H3
InChIKeyJDHBRAQAECEDCF-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.06
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine (CID 123852256) is 4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine is COC1=CC(Br)=CC(F)C1N.
What is the InChIKey of 4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine?
The InChIKey is JDHBRAQAECEDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrFNO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3,5,7H,10H2,1H3.
What are the key properties of 4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine?
4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine has a molecular weight of 222.06 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-2-methoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123852256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).