5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene

C13H8ClF3O — CID 63076204

IUPAC5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
SMILESFc1ccccc1Oc1c(F)cc(CCl)cc1F
InChIInChI=1S/C13H8ClF3O/c14-7-8-5-10(16)13(11(17)6-8)18-12-4-2-1-3-9(12)15/h1-6H,7H2
InChIKeyIITYJCSQQMEMMR-UHFFFAOYSA-N
MW272.65 g/mol
LogP4.64
Rot. Bonds3

About 5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene

5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene (PubChem CID 63076204) has the molecular formula C13H8ClF3O and a molecular weight of 272.65 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
PubChem CID63076204
Molecular FormulaC13H8ClF3O
Molecular Weight272.65 g/mol
Exact Mass272.02
IUPAC Name5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
SMILESFc1ccccc1Oc1c(F)cc(CCl)cc1F
InChIInChI=1S/C13H8ClF3O/c14-7-8-5-10(16)13(11(17)6-8)18-12-4-2-1-3-9(12)15/h1-6H,7H2
InChIKeyIITYJCSQQMEMMR-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.65
LogP ≤ 54.64
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-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
CID 63565884
1-(chloromethyl)-4-(2-fluorophenoxy)benzene
CID 22293096
[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077057
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene
CID 63566239
5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene
CID 63076376
5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
CID 107088431
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
CID 63075510
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666
5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene
CID 107666217

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene?
The IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene (CID 63076204) is 5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene.
What is the SMILES notation for 5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene?
The canonical SMILES for 5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene is Fc1ccccc1Oc1c(F)cc(CCl)cc1F.
What is the InChIKey of 5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene?
The InChIKey is IITYJCSQQMEMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O/c14-7-8-5-10(16)13(11(17)6-8)18-12-4-2-1-3-9(12)15/h1-6H,7H2.
What are the key properties of 5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene?
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene has a molecular weight of 272.65 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene is sourced from PubChem (CID 63076204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).