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

C12H6Cl2F2O — CID 142784638

IUPAC4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
SMILESFc1cc(Cl)ccc1Oc1ccc(Cl)cc1F
InChIInChI=1S/C12H6Cl2F2O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
InChIKeyFOTINZOJTZYFHU-UHFFFAOYSA-N
MW275.08 g/mol
LogP5.06
Rot. Bonds2

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

4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene (PubChem CID 142784638) has the molecular formula C12H6Cl2F2O and a molecular weight of 275.08 g/mol. Its IUPAC name is 4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
PubChem CID142784638
Molecular FormulaC12H6Cl2F2O
Molecular Weight275.08 g/mol
Exact Mass273.98
IUPAC Name4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
SMILESFc1cc(Cl)ccc1Oc1ccc(Cl)cc1F
InChIInChI=1S/C12H6Cl2F2O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
InChIKeyFOTINZOJTZYFHU-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

O-(4-chloro-2-fluorophenyl)hydroxylamine
CID 130505440
1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
CID 114267907
4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
CID 107087281
2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile
CID 63083303
2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine
CID 69464363
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile
CID 133416009
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
CID 114267909
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene?
The IUPAC name of 4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene (CID 142784638) is 4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene is Fc1cc(Cl)ccc1Oc1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene?
The InChIKey is FOTINZOJTZYFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H.
What are the key properties of 4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene?
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-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 4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene is sourced from PubChem (CID 142784638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).