1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene

C14H11Cl2FO — CID 140972707

IUPAC1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene
SMILESFc1cccc(CCOc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H11Cl2FO/c15-12-5-2-6-13(16)14(12)18-8-7-10-3-1-4-11(17)9-10/h1-6,9H,7-8H2
InChIKeyIBLPSMVIOSEYHG-UHFFFAOYSA-N
MW285.14 g/mol
LogP4.75
Rot. Bonds4

About 1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene

1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene (PubChem CID 140972707) has the molecular formula C14H11Cl2FO and a molecular weight of 285.14 g/mol. Its IUPAC name is 1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene
PubChem CID140972707
Molecular FormulaC14H11Cl2FO
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene
SMILESFc1cccc(CCOc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H11Cl2FO/c15-12-5-2-6-13(16)14(12)18-8-7-10-3-1-4-11(17)9-10/h1-6,9H,7-8H2
InChIKeyIBLPSMVIOSEYHG-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene?
The IUPAC name of 1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene (CID 140972707) is 1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene.
What is the SMILES notation for 1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene?
The canonical SMILES for 1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene is Fc1cccc(CCOc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene?
The InChIKey is IBLPSMVIOSEYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO/c15-12-5-2-6-13(16)14(12)18-8-7-10-3-1-4-11(17)9-10/h1-6,9H,7-8H2.
What are the key properties of 1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene?
1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene has a molecular weight of 285.14 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene is sourced from PubChem (CID 140972707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).