1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene

C13H8Cl2F2O — CID 78915283

IUPAC1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2cc(Cl)ccc2Cl)c1F
InChIInChI=1S/C13H8Cl2F2O/c14-9-4-5-10(15)12(6-9)18-7-8-2-1-3-11(16)13(8)17/h1-6H,7H2
InChIKeyYURLCYRNIJATFG-UHFFFAOYSA-N
MW289.11 g/mol
LogP4.85
Rot. Bonds3

About 1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene

1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene (PubChem CID 78915283) has the molecular formula C13H8Cl2F2O and a molecular weight of 289.11 g/mol. Its IUPAC name is 1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene
PubChem CID78915283
Molecular FormulaC13H8Cl2F2O
Molecular Weight289.11 g/mol
Exact Mass287.99
IUPAC Name1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2cc(Cl)ccc2Cl)c1F
InChIInChI=1S/C13H8Cl2F2O/c14-9-4-5-10(15)12(6-9)18-7-8-2-1-3-11(16)13(8)17/h1-6H,7H2
InChIKeyYURLCYRNIJATFG-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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Related Compounds

1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
3-chloro-4-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 60695071
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
1,4-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
3-[(2-bromo-4-chlorophenoxy)methyl]-2-fluorobenzoic acid
CID 107119677
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene?
The IUPAC name of 1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene (CID 78915283) is 1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene.
What is the SMILES notation for 1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene?
The canonical SMILES for 1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene is Fc1cccc(COc2cc(Cl)ccc2Cl)c1F.
What is the InChIKey of 1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene?
The InChIKey is YURLCYRNIJATFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2O/c14-9-4-5-10(15)12(6-9)18-7-8-2-1-3-11(16)13(8)17/h1-6H,7H2.
What are the key properties of 1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene?
1,4-dichloro-2-[(2,3-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 1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene is sourced from PubChem (CID 78915283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).