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

C6H6BrF2N — CID 67117845

IUPAC1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine
SMILESNC1(Br)C(F)=CC=CC1F
InChIInChI=1S/C6H6BrF2N/c7-6(10)4(8)2-1-3-5(6)9/h1-4H,10H2
InChIKeyFTMOMUOMDGOMQR-UHFFFAOYSA-N
MW210.02 g/mol
LogP1.80
Rot. Bonds

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

1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine (PubChem CID 67117845) has the molecular formula C6H6BrF2N and a molecular weight of 210.02 g/mol. Its IUPAC name is 1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine
PubChem CID67117845
Molecular FormulaC6H6BrF2N
Molecular Weight210.02 g/mol
Exact Mass208.97
IUPAC Name1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine
SMILESNC1(Br)C(F)=CC=CC1F
InChIInChI=1S/C6H6BrF2N/c7-6(10)4(8)2-1-3-5(6)9/h1-4H,10H2
InChIKeyFTMOMUOMDGOMQR-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine (CID 67117845) is 1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine is NC1(Br)C(F)=CC=CC1F.
What is the InChIKey of 1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine?
The InChIKey is FTMOMUOMDGOMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N/c7-6(10)4(8)2-1-3-5(6)9/h1-4H,10H2.
What are the key properties of 1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine?
1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine has a molecular weight of 210.02 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,6-difluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67117845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).