2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene

C13H7Cl2F3O — CID 63879344

IUPAC2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene
SMILESFc1ccc(Oc2c(F)cc(CCl)cc2F)cc1Cl
InChIInChI=1S/C13H7Cl2F3O/c14-6-7-3-11(17)13(12(18)4-7)19-8-1-2-10(16)9(15)5-8/h1-5H,6H2
InChIKeyDHLNWYOOXDIDJL-UHFFFAOYSA-N
MW307.10 g/mol
LogP5.29
Rot. Bonds3

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

2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene (PubChem CID 63879344) has the molecular formula C13H7Cl2F3O and a molecular weight of 307.10 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene
PubChem CID63879344
Molecular FormulaC13H7Cl2F3O
Molecular Weight307.10 g/mol
Exact Mass305.98
IUPAC Name2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene
SMILESFc1ccc(Oc2c(F)cc(CCl)cc2F)cc1Cl
InChIInChI=1S/C13H7Cl2F3O/c14-6-7-3-11(17)13(12(18)4-7)19-8-1-2-10(16)9(15)5-8/h1-5H,6H2
InChIKeyDHLNWYOOXDIDJL-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.10
LogP ≤ 55.29
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
N-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63880043
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene
CID 63076376
3,5-dichloro-4-(3-chloro-4-fluorophenoxy)aniline
CID 106891029
5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene
CID 63076728
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine
CID 63877810
2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 71236598
3-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)pyridine
CID 61269746
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
CID 63568031

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene (CID 63879344) is 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene is Fc1ccc(Oc2c(F)cc(CCl)cc2F)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene?
The InChIKey is DHLNWYOOXDIDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3O/c14-6-7-3-11(17)13(12(18)4-7)19-8-1-2-10(16)9(15)5-8/h1-5H,6H2.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene?
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene has a molecular weight of 307.10 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene is sourced from PubChem (CID 63879344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).