6-bromo-1,2,3,4-tetrafluoronaphthalene

C10H3BrF4 — CID 59658286

IUPAC6-bromo-1,2,3,4-tetrafluoronaphthalene
SMILESFc1c(F)c(F)c2cc(Br)ccc2c1F
InChIInChI=1S/C10H3BrF4/c11-4-1-2-5-6(3-4)8(13)10(15)9(14)7(5)12/h1-3H
InChIKeyVDAAVUNAWBIYII-UHFFFAOYSA-N
MW279.03 g/mol
LogP4.16
Rot. Bonds

About 6-bromo-1,2,3,4-tetrafluoronaphthalene

6-bromo-1,2,3,4-tetrafluoronaphthalene (PubChem CID 59658286) has the molecular formula C10H3BrF4 and a molecular weight of 279.03 g/mol. Its IUPAC name is 6-bromo-1,2,3,4-tetrafluoronaphthalene.

Molecular Properties

Compound Name6-bromo-1,2,3,4-tetrafluoronaphthalene
PubChem CID59658286
Molecular FormulaC10H3BrF4
Molecular Weight279.03 g/mol
Exact Mass277.94
IUPAC Name6-bromo-1,2,3,4-tetrafluoronaphthalene
SMILESFc1c(F)c(F)c2cc(Br)ccc2c1F
InChIInChI=1S/C10H3BrF4/c11-4-1-2-5-6(3-4)8(13)10(15)9(14)7(5)12/h1-3H
InChIKeyVDAAVUNAWBIYII-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.03
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4-tetrafluoronaphthalene?
The IUPAC name of 6-bromo-1,2,3,4-tetrafluoronaphthalene (CID 59658286) is 6-bromo-1,2,3,4-tetrafluoronaphthalene.
What is the SMILES notation for 6-bromo-1,2,3,4-tetrafluoronaphthalene?
The canonical SMILES for 6-bromo-1,2,3,4-tetrafluoronaphthalene is Fc1c(F)c(F)c2cc(Br)ccc2c1F.
What is the InChIKey of 6-bromo-1,2,3,4-tetrafluoronaphthalene?
The InChIKey is VDAAVUNAWBIYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrF4/c11-4-1-2-5-6(3-4)8(13)10(15)9(14)7(5)12/h1-3H.
What are the key properties of 6-bromo-1,2,3,4-tetrafluoronaphthalene?
6-bromo-1,2,3,4-tetrafluoronaphthalene has a molecular weight of 279.03 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2,3,4-tetrafluoronaphthalene is sourced from PubChem (CID 59658286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).