2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene

C14H11ClF2O — CID 64856384

IUPAC2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(Oc2ccc(CCl)cc2F)c1
InChIInChI=1S/C14H11ClF2O/c1-9-2-4-11(16)14(6-9)18-13-5-3-10(8-15)7-12(13)17/h2-7H,8H2,1H3
InChIKeyBXAOHZMWURWAML-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.80
Rot. Bonds3

About 2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene

2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene (PubChem CID 64856384) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
PubChem CID64856384
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(Oc2ccc(CCl)cc2F)c1
InChIInChI=1S/C14H11ClF2O/c1-9-2-4-11(16)14(6-9)18-13-5-3-10(8-15)7-12(13)17/h2-7H,8H2,1H3
InChIKeyBXAOHZMWURWAML-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-[4-(chloromethyl)-2-nitrophenoxy]-1-fluoro-4-methylbenzene
CID 64855803
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene
CID 114054766
5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
CID 63075510
4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
CID 43173845
1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene
CID 64853464
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene
CID 28947258
2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene
CID 114062638
1-(4-bromo-2-propan-2-ylphenoxy)-4-(chloromethyl)-2-fluorobenzene
CID 115402447
1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]butan-2-amine
CID 63803843
N-[[4-(2-chloro-5-methylphenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 43283818

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene?
The IUPAC name of 2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene (CID 64856384) is 2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene is Cc1ccc(F)c(Oc2ccc(CCl)cc2F)c1.
What is the InChIKey of 2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene?
The InChIKey is BXAOHZMWURWAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c1-9-2-4-11(16)14(6-9)18-13-5-3-10(8-15)7-12(13)17/h2-7H,8H2,1H3.
What are the key properties of 2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene?
2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene 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-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene is sourced from PubChem (CID 64856384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).