1-(bromomethyl)-2,5-difluoro-3-methoxybenzene

C8H7BrF2O — CID 130936683

IUPAC1-(bromomethyl)-2,5-difluoro-3-methoxybenzene
SMILESCOc1cc(F)cc(CBr)c1F
InChIInChI=1S/C8H7BrF2O/c1-12-7-3-6(10)2-5(4-9)8(7)11/h2-3H,4H2,1H3
InChIKeyHHMRXHXVQJDSCQ-UHFFFAOYSA-N
MW237.04 g/mol
LogP2.87
Rot. Bonds2

About 1-(bromomethyl)-2,5-difluoro-3-methoxybenzene

1-(bromomethyl)-2,5-difluoro-3-methoxybenzene (PubChem CID 130936683) has the molecular formula C8H7BrF2O and a molecular weight of 237.04 g/mol. Its IUPAC name is 1-(bromomethyl)-2,5-difluoro-3-methoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2,5-difluoro-3-methoxybenzene
PubChem CID130936683
Molecular FormulaC8H7BrF2O
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name1-(bromomethyl)-2,5-difluoro-3-methoxybenzene
SMILESCOc1cc(F)cc(CBr)c1F
InChIInChI=1S/C8H7BrF2O/c1-12-7-3-6(10)2-5(4-9)8(7)11/h2-3H,4H2,1H3
InChIKeyHHMRXHXVQJDSCQ-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 52.87
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

2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid
CID 171024915
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate
CID 171017402
methyl 2-[2-(bromomethyl)-5-fluoro-3-methoxyphenyl]acetate
CID 171017298
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018
4-(bromomethyl)-5-fluoro-2-methoxyphenol
CID 130756651
6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080615
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
ethyl 2-[2-(bromomethyl)-5-fluoro-3-methoxyphenyl]acetate
CID 171017711
2-chloro-1-(chloromethyl)-5-fluoro-3-methoxybenzene
CID 171005344
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
methyl 2-[3-(bromomethyl)-5-fluorophenyl]acetate
CID 99769923

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,5-difluoro-3-methoxybenzene?
The IUPAC name of 1-(bromomethyl)-2,5-difluoro-3-methoxybenzene (CID 130936683) is 1-(bromomethyl)-2,5-difluoro-3-methoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2,5-difluoro-3-methoxybenzene?
The canonical SMILES for 1-(bromomethyl)-2,5-difluoro-3-methoxybenzene is COc1cc(F)cc(CBr)c1F.
What is the InChIKey of 1-(bromomethyl)-2,5-difluoro-3-methoxybenzene?
The InChIKey is HHMRXHXVQJDSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O/c1-12-7-3-6(10)2-5(4-9)8(7)11/h2-3H,4H2,1H3.
What are the key properties of 1-(bromomethyl)-2,5-difluoro-3-methoxybenzene?
1-(bromomethyl)-2,5-difluoro-3-methoxybenzene has a molecular weight of 237.04 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,5-difluoro-3-methoxybenzene is sourced from PubChem (CID 130936683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).