1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene

C10H12BrFO2 — CID 80694443

IUPAC1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene
SMILESCOc1ccc(CBr)c(OCCF)c1
InChIInChI=1S/C10H12BrFO2/c1-13-9-3-2-8(7-11)10(6-9)14-5-4-12/h2-3,6H,4-5,7H2,1H3
InChIKeyDHIKHYKYMSVOFE-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.94
Rot. Bonds5

About 1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene

1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene (PubChem CID 80694443) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene
PubChem CID80694443
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene
SMILESCOc1ccc(CBr)c(OCCF)c1
InChIInChI=1S/C10H12BrFO2/c1-13-9-3-2-8(7-11)10(6-9)14-5-4-12/h2-3,6H,4-5,7H2,1H3
InChIKeyDHIKHYKYMSVOFE-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-4-methoxy-2-(3-methylbutoxy)benzene
CID 61269278
1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene
CID 61267808
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene
CID 43472455
1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63534360
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine
CID 81107388
2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
CID 63536563
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 81107025
2,4-bis(2-fluoroethoxy)-1-methylbenzene
CID 15058706

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene?
The IUPAC name of 1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene (CID 80694443) is 1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene is COc1ccc(CBr)c(OCCF)c1.
What is the InChIKey of 1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene?
The InChIKey is DHIKHYKYMSVOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-13-9-3-2-8(7-11)10(6-9)14-5-4-12/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene?
1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene has a molecular weight of 263.11 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene is sourced from PubChem (CID 80694443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).