2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene

C12H6Cl2F2O — CID 69010329

IUPAC2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
SMILESFc1ccc(Oc2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H6Cl2F2O/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6H
InChIKeyUCFRRUCRMDFFBP-UHFFFAOYSA-N
MW275.08 g/mol
LogP5.06
Rot. Bonds2

About 2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene

2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene (PubChem CID 69010329) has the molecular formula C12H6Cl2F2O and a molecular weight of 275.08 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
PubChem CID69010329
Molecular FormulaC12H6Cl2F2O
Molecular Weight275.08 g/mol
Exact Mass273.98
IUPAC Name2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
SMILESFc1ccc(Oc2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H6Cl2F2O/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6H
InChIKeyUCFRRUCRMDFFBP-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.08
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 71236598
2-(3-chloro-4-fluorophenoxy)pyrimidine
CID 5045020
3,5-dichloro-4-(3-chloro-4-fluorophenoxy)aniline
CID 106891029
2-bromo-1-(bromomethyl)-4-(3-chloro-4-fluorophenoxy)benzene
CID 114060640
3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102818128
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene
CID 63879344
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine
CID 63879150
(3-chloro-4-fluorophenyl) cyanate
CID 122489047
1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63879873
[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine
CID 113469610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene?
The IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene (CID 69010329) is 2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene is Fc1ccc(Oc2ccc(F)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene?
The InChIKey is UCFRRUCRMDFFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2O/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6H.
What are the key properties of 2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene?
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene has a molecular weight of 275.08 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene is sourced from PubChem (CID 69010329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).