2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene

C14H11ClF2O — CID 102989965

IUPAC2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene
SMILESCc1ccc(F)cc1Oc1ccc(F)cc1CCl
InChIInChI=1S/C14H11ClF2O/c1-9-2-3-12(17)7-14(9)18-13-5-4-11(16)6-10(13)8-15/h2-7H,8H2,1H3
InChIKeyMLUROARZPIMYBD-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.80
Rot. Bonds3

About 2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene

2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene (PubChem CID 102989965) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene.

Molecular Properties

Compound Name2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene
PubChem CID102989965
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene
SMILESCc1ccc(F)cc1Oc1ccc(F)cc1CCl
InChIInChI=1S/C14H11ClF2O/c1-9-2-3-12(17)7-14(9)18-13-5-4-11(16)6-10(13)8-15/h2-7H,8H2,1H3
InChIKeyMLUROARZPIMYBD-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 54.80
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-(chloromethyl)-1-(5-fluoro-2-methylphenoxy)-4-methylbenzene
CID 114054837
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene
CID 114054766
2-(chloromethyl)-4-fluoro-1-(2-methylsulfanylphenoxy)benzene
CID 55246542
[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol
CID 107284920
4-(chloromethyl)-1-(5-fluoro-2-methylphenoxy)isoquinoline
CID 106769677
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
2-[2-(chloromethyl)-4-fluorophenoxy]-4-fluoro-1-nitrobenzene
CID 61031561
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990039
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 102990008
2-[2-(bromomethyl)-4-nitrophenoxy]-4-fluoro-1-methylbenzene
CID 107089361

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene?
The IUPAC name of 2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene (CID 102989965) is 2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene.
What is the SMILES notation for 2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene?
The canonical SMILES for 2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene is Cc1ccc(F)cc1Oc1ccc(F)cc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene?
The InChIKey is MLUROARZPIMYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c1-9-2-3-12(17)7-14(9)18-13-5-4-11(16)6-10(13)8-15/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene?
2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene has a molecular weight of 268.69 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene is sourced from PubChem (CID 102989965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).