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

C10H12BrFO2 — CID 80694773

IUPAC4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene
SMILESCOc1cc(CBr)ccc1OCCF
InChIInChI=1S/C10H12BrFO2/c1-13-10-6-8(7-11)2-3-9(10)14-5-4-12/h2-3,6H,4-5,7H2,1H3
InChIKeyQCUIDUAUXYPGET-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.94
Rot. Bonds5

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

4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene (PubChem CID 80694773) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene
PubChem CID80694773
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene
SMILESCOc1cc(CBr)ccc1OCCF
InChIInChI=1S/C10H12BrFO2/c1-13-10-6-8(7-11)2-3-9(10)14-5-4-12/h2-3,6H,4-5,7H2,1H3
InChIKeyQCUIDUAUXYPGET-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

4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
4-(bromomethyl)-2-methoxy-1-(3-methoxy-3-methylbutoxy)benzene
CID 103034286
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
4-(bromomethyl)-1-[2-(3-bromophenoxy)ethoxy]-2-methoxybenzene
CID 63535512
4-(bromomethyl)-2-hexoxy-1-methoxybenzene
CID 43141756
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
CID 62699007
4-(bromomethyl)-1-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 61490859
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201
4-(bromomethyl)-1-methoxy-2-(2-methylsulfonylethoxy)benzene
CID 54914887

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene?
The IUPAC name of 4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene (CID 80694773) is 4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene.
What is the SMILES notation for 4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene?
The canonical SMILES for 4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene is COc1cc(CBr)ccc1OCCF.
What is the InChIKey of 4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene?
The InChIKey is QCUIDUAUXYPGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-13-10-6-8(7-11)2-3-9(10)14-5-4-12/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene?
4-(bromomethyl)-1-(2-fluoroethoxy)-2-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 4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene is sourced from PubChem (CID 80694773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).