1-(bromomethyl)-6-fluoro-7-methoxynaphthalene

C12H10BrFO — CID 54526518

IUPAC1-(bromomethyl)-6-fluoro-7-methoxynaphthalene
SMILESCOc1cc2c(CBr)cccc2cc1F
InChIInChI=1S/C12H10BrFO/c1-15-12-6-10-8(5-11(12)14)3-2-4-9(10)7-13/h2-6H,7H2,1H3
InChIKeyYTMHTALIHBLQSA-UHFFFAOYSA-N
MW269.11 g/mol
LogP3.88
Rot. Bonds2

About 1-(bromomethyl)-6-fluoro-7-methoxynaphthalene

1-(bromomethyl)-6-fluoro-7-methoxynaphthalene (PubChem CID 54526518) has the molecular formula C12H10BrFO and a molecular weight of 269.11 g/mol. Its IUPAC name is 1-(bromomethyl)-6-fluoro-7-methoxynaphthalene.

Molecular Properties

Compound Name1-(bromomethyl)-6-fluoro-7-methoxynaphthalene
PubChem CID54526518
Molecular FormulaC12H10BrFO
Molecular Weight269.11 g/mol
Exact Mass267.99
IUPAC Name1-(bromomethyl)-6-fluoro-7-methoxynaphthalene
SMILESCOc1cc2c(CBr)cccc2cc1F
InChIInChI=1S/C12H10BrFO/c1-15-12-6-10-8(5-11(12)14)3-2-4-9(10)7-13/h2-6H,7H2,1H3
InChIKeyYTMHTALIHBLQSA-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
CID 43659017
2-[(5-bromo-2-methoxyphenyl)methoxy]-1-(bromomethyl)-3-fluorobenzene
CID 115956804
1-(bromomethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene
CID 102877184
1-ethyl-7-methoxy-6-propan-2-ylnaphthalene
CID 14828144
1-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 79260511
1-(bromomethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 60926789
3-ethyl-6-fluoro-5-methoxy-1H-indole
CID 22356057
(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride
CID 172703770
2-[2-(bromomethyl)-6-methoxyphenoxy]acetonitrile
CID 43471913
methyl 2-[2-(bromomethyl)-5-fluoro-4-methoxyphenyl]acetate
CID 171017348
1,4-bis(bromomethyl)-2,3-dimethoxybenzene
CID 15760230

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-6-fluoro-7-methoxynaphthalene?
The IUPAC name of 1-(bromomethyl)-6-fluoro-7-methoxynaphthalene (CID 54526518) is 1-(bromomethyl)-6-fluoro-7-methoxynaphthalene.
What is the SMILES notation for 1-(bromomethyl)-6-fluoro-7-methoxynaphthalene?
The canonical SMILES for 1-(bromomethyl)-6-fluoro-7-methoxynaphthalene is COc1cc2c(CBr)cccc2cc1F.
What is the InChIKey of 1-(bromomethyl)-6-fluoro-7-methoxynaphthalene?
The InChIKey is YTMHTALIHBLQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO/c1-15-12-6-10-8(5-11(12)14)3-2-4-9(10)7-13/h2-6H,7H2,1H3.
What are the key properties of 1-(bromomethyl)-6-fluoro-7-methoxynaphthalene?
1-(bromomethyl)-6-fluoro-7-methoxynaphthalene has a molecular weight of 269.11 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-6-fluoro-7-methoxynaphthalene is sourced from PubChem (CID 54526518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).