2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene

C15H13ClF2 — CID 82816333

IUPAC2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene
SMILESCc1ccc(C(Cl)c2c(F)ccc(C)c2F)cc1
InChIInChI=1S/C15H13ClF2/c1-9-3-6-11(7-4-9)14(16)13-12(17)8-5-10(2)15(13)18/h3-8,14H,1-2H3
InChIKeyADBFSOGKFNHYBB-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.91
Rot. Bonds2

About 2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene

2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene (PubChem CID 82816333) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene
PubChem CID82816333
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene
SMILESCc1ccc(C(Cl)c2c(F)ccc(C)c2F)cc1
InChIInChI=1S/C15H13ClF2/c1-9-3-6-11(7-4-9)14(16)13-12(17)8-5-10(2)15(13)18/h3-8,14H,1-2H3
InChIKeyADBFSOGKFNHYBB-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene?
The IUPAC name of 2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene (CID 82816333) is 2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene.
What is the SMILES notation for 2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene?
The canonical SMILES for 2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene is Cc1ccc(C(Cl)c2c(F)ccc(C)c2F)cc1.
What is the InChIKey of 2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene?
The InChIKey is ADBFSOGKFNHYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c1-9-3-6-11(7-4-9)14(16)13-12(17)8-5-10(2)15(13)18/h3-8,14H,1-2H3.
What are the key properties of 2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene?
2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene has a molecular weight of 266.72 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene is sourced from PubChem (CID 82816333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).