1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene

C13H9Cl2FO — CID 82727407

IUPAC1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene
SMILESFc1cc(OCc2ccccc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2FO/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-7H,8H2
InChIKeyUAFWDZZBYYUCFZ-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.71
Rot. Bonds3

About 1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene

1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene (PubChem CID 82727407) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene
PubChem CID82727407
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene
SMILESFc1cc(OCc2ccccc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2FO/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-7H,8H2
InChIKeyUAFWDZZBYYUCFZ-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene (CID 82727407) is 1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene is Fc1cc(OCc2ccccc2Cl)ccc1Cl.
What is the InChIKey of 1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene?
The InChIKey is UAFWDZZBYYUCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-7H,8H2.
What are the key properties of 1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene?
1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene has a molecular weight of 271.12 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene is sourced from PubChem (CID 82727407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).