1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane

C15H15ClF2 — CID 156797432

IUPAC1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane
SMILESCC.Cc1cccc(Cl)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H9ClF2.C2H6/c1-8-3-2-4-11(14)13(8)10-6-5-9(15)7-12(10)16;1-2/h2-7H,1H3;1-2H3
InChIKeyLIOBUTDWOFMUHS-UHFFFAOYSA-N
MW268.73 g/mol
LogP5.62
Rot. Bonds1

About 1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane

1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane (PubChem CID 156797432) has the molecular formula C15H15ClF2 and a molecular weight of 268.73 g/mol. Its IUPAC name is 1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane.

Molecular Properties

Compound Name1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane
PubChem CID156797432
Molecular FormulaC15H15ClF2
Molecular Weight268.73 g/mol
Exact Mass268.08
IUPAC Name1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane
SMILESCC.Cc1cccc(Cl)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H9ClF2.C2H6/c1-8-3-2-4-11(14)13(8)10-6-5-9(15)7-12(10)16;1-2/h2-7H,1H3;1-2H3
InChIKeyLIOBUTDWOFMUHS-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.73
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane?
The IUPAC name of 1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane (CID 156797432) is 1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane.
What is the SMILES notation for 1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane?
The canonical SMILES for 1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane is CC.Cc1cccc(Cl)c1-c1ccc(F)cc1F.
What is the InChIKey of 1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane?
The InChIKey is LIOBUTDWOFMUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2.C2H6/c1-8-3-2-4-11(14)13(8)10-6-5-9(15)7-12(10)16;1-2/h2-7H,1H3;1-2H3.
What are the key properties of 1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane?
1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane has a molecular weight of 268.73 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane is sourced from PubChem (CID 156797432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).