2,4-dichloro-1-(1-fluoroethoxy)benzene

C8H7Cl2FO — CID 121391173

IUPAC2,4-dichloro-1-(1-fluoroethoxy)benzene
SMILESCC(F)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2FO/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-5H,1H3
InChIKeyCJRVLHGOJFUKAC-UHFFFAOYSA-N
MW209.05 g/mol
LogP3.69
Rot. Bonds2

About 2,4-dichloro-1-(1-fluoroethoxy)benzene

2,4-dichloro-1-(1-fluoroethoxy)benzene (PubChem CID 121391173) has the molecular formula C8H7Cl2FO and a molecular weight of 209.05 g/mol. Its IUPAC name is 2,4-dichloro-1-(1-fluoroethoxy)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(1-fluoroethoxy)benzene
PubChem CID121391173
Molecular FormulaC8H7Cl2FO
Molecular Weight209.05 g/mol
Exact Mass207.99
IUPAC Name2,4-dichloro-1-(1-fluoroethoxy)benzene
SMILESCC(F)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2FO/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-5H,1H3
InChIKeyCJRVLHGOJFUKAC-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(1-fluoroethoxy)benzene?
The IUPAC name of 2,4-dichloro-1-(1-fluoroethoxy)benzene (CID 121391173) is 2,4-dichloro-1-(1-fluoroethoxy)benzene.
What is the SMILES notation for 2,4-dichloro-1-(1-fluoroethoxy)benzene?
The canonical SMILES for 2,4-dichloro-1-(1-fluoroethoxy)benzene is CC(F)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(1-fluoroethoxy)benzene?
The InChIKey is CJRVLHGOJFUKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-5H,1H3.
What are the key properties of 2,4-dichloro-1-(1-fluoroethoxy)benzene?
2,4-dichloro-1-(1-fluoroethoxy)benzene has a molecular weight of 209.05 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(1-fluoroethoxy)benzene is sourced from PubChem (CID 121391173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).