2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene

C14H10BrClF2O — CID 107698978

IUPAC2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
SMILESFc1ccc(OCc2cc(Cl)ccc2F)c(CBr)c1
InChIInChI=1S/C14H10BrClF2O/c15-7-9-6-12(17)2-4-14(9)19-8-10-5-11(16)1-3-13(10)18/h1-6H,7-8H2
InChIKeyBSSVEKZIBYPVIY-UHFFFAOYSA-N
MW347.59 g/mol
LogP5.09
Rot. Bonds4

About 2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene

2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene (PubChem CID 107698978) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
PubChem CID107698978
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
SMILESFc1ccc(OCc2cc(Cl)ccc2F)c(CBr)c1
InChIInChI=1S/C14H10BrClF2O/c15-7-9-6-12(17)2-4-14(9)19-8-10-5-11(16)1-3-13(10)18/h1-6H,7-8H2
InChIKeyBSSVEKZIBYPVIY-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'}

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Related Compounds

1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene
CID 89437055
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene
CID 89437014
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
CID 114267907
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-4-chloro-1-fluorobenzene
CID 103047043
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 103047119

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene?
The IUPAC name of 2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene (CID 107698978) is 2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene.
What is the SMILES notation for 2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene?
The canonical SMILES for 2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene is Fc1ccc(OCc2cc(Cl)ccc2F)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene?
The InChIKey is BSSVEKZIBYPVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c15-7-9-6-12(17)2-4-14(9)19-8-10-5-11(16)1-3-13(10)18/h1-6H,7-8H2.
What are the key properties of 2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene?
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-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 2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene is sourced from PubChem (CID 107698978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).