4-bromo-2-fluorocyclohexa-1,3-dien-1-amine

C6H7BrFN — CID 143706640

IUPAC4-bromo-2-fluorocyclohexa-1,3-dien-1-amine
SMILESNC1=C(F)C=C(Br)CC1
InChIInChI=1S/C6H7BrFN/c7-4-1-2-6(9)5(8)3-4/h3H,1-2,9H2
InChIKeyIQNRLENXNTVTRQ-UHFFFAOYSA-N
MW192.03 g/mol
LogP2.20
Rot. Bonds

About 4-bromo-2-fluorocyclohexa-1,3-dien-1-amine

4-bromo-2-fluorocyclohexa-1,3-dien-1-amine (PubChem CID 143706640) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is 4-bromo-2-fluorocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-bromo-2-fluorocyclohexa-1,3-dien-1-amine
PubChem CID143706640
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name4-bromo-2-fluorocyclohexa-1,3-dien-1-amine
SMILESNC1=C(F)C=C(Br)CC1
InChIInChI=1S/C6H7BrFN/c7-4-1-2-6(9)5(8)3-4/h3H,1-2,9H2
InChIKeyIQNRLENXNTVTRQ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluorocyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-bromo-2-fluorocyclohexa-1,3-dien-1-amine (CID 143706640) is 4-bromo-2-fluorocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-bromo-2-fluorocyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-bromo-2-fluorocyclohexa-1,3-dien-1-amine is NC1=C(F)C=C(Br)CC1.
What is the InChIKey of 4-bromo-2-fluorocyclohexa-1,3-dien-1-amine?
The InChIKey is IQNRLENXNTVTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFN/c7-4-1-2-6(9)5(8)3-4/h3H,1-2,9H2.
What are the key properties of 4-bromo-2-fluorocyclohexa-1,3-dien-1-amine?
4-bromo-2-fluorocyclohexa-1,3-dien-1-amine has a molecular weight of 192.03 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluorocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143706640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).