1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene

C18H19Cl2FO — CID 59813992

IUPAC1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene
SMILESCC[C@@H](C)Cc1cc(F)cc(-c2c(Cl)cccc2Cl)c1OC
InChIInChI=1S/C18H19Cl2FO/c1-4-11(2)8-12-9-13(21)10-14(18(12)22-3)17-15(19)6-5-7-16(17)20/h5-7,9-11H,4,8H2,1-3H3/t11-/m1/s1
InChIKeyJXUPTWBTHOHMLY-LLVKDONJSA-N
MW341.25 g/mol
LogP6.40
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene

1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene (PubChem CID 59813992) has the molecular formula C18H19Cl2FO and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene
PubChem CID59813992
Molecular FormulaC18H19Cl2FO
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene
SMILESCC[C@@H](C)Cc1cc(F)cc(-c2c(Cl)cccc2Cl)c1OC
InChIInChI=1S/C18H19Cl2FO/c1-4-11(2)8-12-9-13(21)10-14(18(12)22-3)17-15(19)6-5-7-16(17)20/h5-7,9-11H,4,8H2,1-3H3/t11-/m1/s1
InChIKeyJXUPTWBTHOHMLY-LLVKDONJSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene (CID 59813992) is 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene is CC[C@@H](C)Cc1cc(F)cc(-c2c(Cl)cccc2Cl)c1OC.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene?
The InChIKey is JXUPTWBTHOHMLY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19Cl2FO/c1-4-11(2)8-12-9-13(21)10-14(18(12)22-3)17-15(19)6-5-7-16(17)20/h5-7,9-11H,4,8H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene?
1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene has a molecular weight of 341.25 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-[(2R)-2-methylbutyl]benzene is sourced from PubChem (CID 59813992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).