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

C6H6Br2FN — CID 163748070

IUPAC2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C(Br)=CC(F)=CC1Br
InChIInChI=1S/C6H6Br2FN/c7-4-1-3(9)2-5(8)6(4)10/h1-2,4,6H,10H2
InChIKeyLNPSXHMJBNAFMI-UHFFFAOYSA-N
MW270.93 g/mol
LogP2.22
Rot. Bonds

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

2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 163748070) has the molecular formula C6H6Br2FN and a molecular weight of 270.93 g/mol. Its IUPAC name is 2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine
PubChem CID163748070
Molecular FormulaC6H6Br2FN
Molecular Weight270.93 g/mol
Exact Mass268.89
IUPAC Name2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C(Br)=CC(F)=CC1Br
InChIInChI=1S/C6H6Br2FN/c7-4-1-3(9)2-5(8)6(4)10/h1-2,4,6H,10H2
InChIKeyLNPSXHMJBNAFMI-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.93
LogP ≤ 52.22
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-3-fluoro-6-propan-2-yl-5-propan-2-yloxycyclohexa-1,3-diene
CID 175813959
2,5-dibromo-6-methylcyclohexa-2,4-dien-1-amine
CID 89490417
2-[1-[(2-bromo-4-fluorocyclohexa-2,4-dien-1-yl)methyl]cyclopropyl]acetonitrile
CID 175970356
3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine
CID 106763480
5-bromo-3-fluoro-2H-pyridine-1,2-diamine
CID 170340688
(3R,4R,6S)-1,3,4,6-tetrabromocyclohexene
CID 14926706
1,2,3,4-tetrabromocyclohexa-1,4-diene
CID 173155063
3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine
CID 82298493
6-bromo-9-fluoro-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82886014
(1R,2S,3R,4S)-5-bromocyclohex-5-ene-1,2,3,4-tetrol
CID 15318263
(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
CID 131850845
(2-amino-3-bromo-2H-furan-5-ylidene)methanone
CID 87951823

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine (CID 163748070) is 2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine is NC1C(Br)=CC(F)=CC1Br.
What is the InChIKey of 2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is LNPSXHMJBNAFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2FN/c7-4-1-3(9)2-5(8)6(4)10/h1-2,4,6H,10H2.
What are the key properties of 2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine?
2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 270.93 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163748070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).