1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene

C14H10BrClF2O — CID 112614047

IUPAC1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
SMILESFc1ccc(COc2c(F)cccc2CBr)c(Cl)c1
InChIInChI=1S/C14H10BrClF2O/c15-7-9-2-1-3-13(18)14(9)19-8-10-4-5-11(17)6-12(10)16/h1-6H,7-8H2
InChIKeyBFKXPNRGAOOGGV-UHFFFAOYSA-N
MW347.59 g/mol
LogP5.09
Rot. Bonds4

About 1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene

1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene (PubChem CID 112614047) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
PubChem CID112614047
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
SMILESFc1ccc(COc2c(F)cccc2CBr)c(Cl)c1
InChIInChI=1S/C14H10BrClF2O/c15-7-9-2-1-3-13(18)14(9)19-8-10-4-5-11(17)6-12(10)16/h1-6H,7-8H2
InChIKeyBFKXPNRGAOOGGV-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 105372213
5-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-1,3-difluorobenzene
CID 79888589
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 115956803
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545
1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
CID 63535034
1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
CID 112613744
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
[2-[(2-chloro-4-methylphenyl)methoxy]-3-fluorophenyl]methanol
CID 106864412
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
1-(bromomethyl)-2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzene
CID 115956808
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43141547

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene?
The IUPAC name of 1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene (CID 112614047) is 1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene.
What is the SMILES notation for 1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene?
The canonical SMILES for 1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene is Fc1ccc(COc2c(F)cccc2CBr)c(Cl)c1.
What is the InChIKey of 1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene?
The InChIKey is BFKXPNRGAOOGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c15-7-9-2-1-3-13(18)14(9)19-8-10-4-5-11(17)6-12(10)16/h1-6H,7-8H2.
What are the key properties of 1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene?
1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene has a molecular weight of 347.59 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene is sourced from PubChem (CID 112614047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).