1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene

C13H8Cl2F2O — CID 2740949

IUPAC1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene
SMILESFc1cc(F)cc(COc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2F2O/c14-9-3-10(15)5-13(4-9)18-7-8-1-11(16)6-12(17)2-8/h1-6H,7H2
InChIKeyHNNQEWWETQRJNL-UHFFFAOYSA-N
MW289.11 g/mol
LogP4.85
Rot. Bonds3

About 1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene

1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene (PubChem CID 2740949) has the molecular formula C13H8Cl2F2O and a molecular weight of 289.11 g/mol. Its IUPAC name is 1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene
PubChem CID2740949
Molecular FormulaC13H8Cl2F2O
Molecular Weight289.11 g/mol
Exact Mass287.99
IUPAC Name1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene
SMILESFc1cc(F)cc(COc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2F2O/c14-9-3-10(15)5-13(4-9)18-7-8-1-11(16)6-12(17)2-8/h1-6H,7H2
InChIKeyHNNQEWWETQRJNL-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.11
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene?
The IUPAC name of 1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene (CID 2740949) is 1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene.
What is the SMILES notation for 1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene?
The canonical SMILES for 1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene is Fc1cc(F)cc(COc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene?
The InChIKey is HNNQEWWETQRJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2O/c14-9-3-10(15)5-13(4-9)18-7-8-1-11(16)6-12(17)2-8/h1-6H,7H2.
What are the key properties of 1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene?
1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene has a molecular weight of 289.11 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[(3,5-difluorophenyl)methoxy]benzene is sourced from PubChem (CID 2740949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).