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

C13H8ClF3O — CID 63076376

IUPAC5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene
SMILESFc1cccc(Oc2c(F)cc(CCl)cc2F)c1
InChIInChI=1S/C13H8ClF3O/c14-7-8-4-11(16)13(12(17)5-8)18-10-3-1-2-9(15)6-10/h1-6H,7H2
InChIKeyLSKQHGOYDAEYBI-UHFFFAOYSA-N
MW272.65 g/mol
LogP4.64
Rot. Bonds3

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

5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene (PubChem CID 63076376) has the molecular formula C13H8ClF3O and a molecular weight of 272.65 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene
PubChem CID63076376
Molecular FormulaC13H8ClF3O
Molecular Weight272.65 g/mol
Exact Mass272.02
IUPAC Name5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene
SMILESFc1cccc(Oc2c(F)cc(CCl)cc2F)c1
InChIInChI=1S/C13H8ClF3O/c14-7-8-4-11(16)13(12(17)5-8)18-10-3-1-2-9(15)6-10/h1-6H,7H2
InChIKeyLSKQHGOYDAEYBI-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

5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene
CID 63566239
3,5-difluoro-4-(3-fluorophenoxy)aniline
CID 54902903
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene
CID 63879344
CID 70640647
CID 70640647
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
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
CID 114930615
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene?
The IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene (CID 63076376) is 5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene.
What is the SMILES notation for 5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene?
The canonical SMILES for 5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene is Fc1cccc(Oc2c(F)cc(CCl)cc2F)c1.
What is the InChIKey of 5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene?
The InChIKey is LSKQHGOYDAEYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O/c14-7-8-4-11(16)13(12(17)5-8)18-10-3-1-2-9(15)6-10/h1-6H,7H2.
What are the key properties of 5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene?
5-(chloromethyl)-1,3-difluoro-2-(3-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-(3-fluorophenoxy)benzene is sourced from PubChem (CID 63076376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).