1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene

C30H28F4 — CID 143856845

IUPAC1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
SMILESCc1ccc(C(F)(F)c2ccc(C)cc2)cc1.Cc1ccc(C(F)(F)c2cccc(C)c2)cc1
InChIInChI=1S/2C15H14F2/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15(16,17)14-5-3-4-12(2)10-14/h2*3-10H,1-2H3
InChIKeyPYAPVLVDJDECHE-UHFFFAOYSA-N
MW464.55 g/mol
LogP8.89
Rot. Bonds4

About 1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene

1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene (PubChem CID 143856845) has the molecular formula C30H28F4 and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
PubChem CID143856845
Molecular FormulaC30H28F4
Molecular Weight464.55 g/mol
Exact Mass464.21
IUPAC Name1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
SMILESCc1ccc(C(F)(F)c2ccc(C)cc2)cc1.Cc1ccc(C(F)(F)c2cccc(C)c2)cc1
InChIInChI=1S/2C15H14F2/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15(16,17)14-5-3-4-12(2)10-14/h2*3-10H,1-2H3
InChIKeyPYAPVLVDJDECHE-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene (CID 143856845) is 1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene is Cc1ccc(C(F)(F)c2ccc(C)cc2)cc1.Cc1ccc(C(F)(F)c2cccc(C)c2)cc1.
What is the InChIKey of 1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene?
The InChIKey is PYAPVLVDJDECHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14F2/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15(16,17)14-5-3-4-12(2)10-14/h2*3-10H,1-2H3.
What are the key properties of 1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene?
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene has a molecular weight of 464.55 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 143856845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).