5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene

C13H8Cl2F2O — CID 63566239

IUPAC5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene
SMILESFc1cc(CCl)cc(F)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2F2O/c14-7-8-5-11(16)13(12(17)6-8)18-10-3-1-9(15)2-4-10/h1-6H,7H2
InChIKeyWFIYHBYKCWQIET-UHFFFAOYSA-N
MW289.11 g/mol
LogP5.15
Rot. Bonds3

About 5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene

5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene (PubChem CID 63566239) has the molecular formula C13H8Cl2F2O and a molecular weight of 289.11 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene
PubChem CID63566239
Molecular FormulaC13H8Cl2F2O
Molecular Weight289.11 g/mol
Exact Mass287.99
IUPAC Name5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene
SMILESFc1cc(CCl)cc(F)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2F2O/c14-7-8-5-11(16)13(12(17)6-8)18-10-3-1-9(15)2-4-10/h1-6H,7H2
InChIKeyWFIYHBYKCWQIET-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.11
LogP ≤ 55.15
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-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene
CID 63879344
5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene
CID 63076376
5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene
CID 63076728
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
CID 63565884
2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 114850377
2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 79881325
[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 63077354
3-(chloromethyl)-5-(4-chlorophenoxy)pyridine
CID 112693982
N-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63880043
4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293743
[4-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methanol
CID 64600418

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene?
The IUPAC name of 5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene (CID 63566239) is 5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene.
What is the SMILES notation for 5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene?
The canonical SMILES for 5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene is Fc1cc(CCl)cc(F)c1Oc1ccc(Cl)cc1.
What is the InChIKey of 5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene?
The InChIKey is WFIYHBYKCWQIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2O/c14-7-8-5-11(16)13(12(17)6-8)18-10-3-1-9(15)2-4-10/h1-6H,7H2.
What are the key properties of 5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene?
5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene has a molecular weight of 289.11 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene is sourced from PubChem (CID 63566239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).