5-bromo-1,2,3-trifluoro-6-methoxynaphthalene

C11H6BrF3O — CID 11162106

IUPAC5-bromo-1,2,3-trifluoro-6-methoxynaphthalene
SMILESCOc1ccc2c(F)c(F)c(F)cc2c1Br
InChIInChI=1S/C11H6BrF3O/c1-16-8-3-2-5-6(9(8)12)4-7(13)11(15)10(5)14/h2-4H,1H3
InChIKeyYWIVPMRKVYPERU-UHFFFAOYSA-N
MW291.07 g/mol
LogP4.03
Rot. Bonds1

About 5-bromo-1,2,3-trifluoro-6-methoxynaphthalene

5-bromo-1,2,3-trifluoro-6-methoxynaphthalene (PubChem CID 11162106) has the molecular formula C11H6BrF3O and a molecular weight of 291.07 g/mol. Its IUPAC name is 5-bromo-1,2,3-trifluoro-6-methoxynaphthalene.

Molecular Properties

Compound Name5-bromo-1,2,3-trifluoro-6-methoxynaphthalene
PubChem CID11162106
Molecular FormulaC11H6BrF3O
Molecular Weight291.07 g/mol
Exact Mass289.96
IUPAC Name5-bromo-1,2,3-trifluoro-6-methoxynaphthalene
SMILESCOc1ccc2c(F)c(F)c(F)cc2c1Br
InChIInChI=1S/C11H6BrF3O/c1-16-8-3-2-5-6(9(8)12)4-7(13)11(15)10(5)14/h2-4H,1H3
InChIKeyYWIVPMRKVYPERU-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 72860
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CID 138521
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CID 3503057
CID 3503057
CID 13351910
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CID 3572059
CID 3572059
CID 236858
CID 236858
CID 16217848
CID 16217848
CID 288221
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CID 378883
CID 378883
CID 3798414
CID 3798414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,2,3-trifluoro-6-methoxynaphthalene?
The IUPAC name of 5-bromo-1,2,3-trifluoro-6-methoxynaphthalene (CID 11162106) is 5-bromo-1,2,3-trifluoro-6-methoxynaphthalene.
What is the SMILES notation for 5-bromo-1,2,3-trifluoro-6-methoxynaphthalene?
The canonical SMILES for 5-bromo-1,2,3-trifluoro-6-methoxynaphthalene is COc1ccc2c(F)c(F)c(F)cc2c1Br.
What is the InChIKey of 5-bromo-1,2,3-trifluoro-6-methoxynaphthalene?
The InChIKey is YWIVPMRKVYPERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3O/c1-16-8-3-2-5-6(9(8)12)4-7(13)11(15)10(5)14/h2-4H,1H3.
What are the key properties of 5-bromo-1,2,3-trifluoro-6-methoxynaphthalene?
5-bromo-1,2,3-trifluoro-6-methoxynaphthalene has a molecular weight of 291.07 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2,3-trifluoro-6-methoxynaphthalene is sourced from PubChem (CID 11162106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).