1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene

C16H16F2 — CID 91261631

IUPAC1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene
SMILESCc1cc(F)c(F)cc1-c1ccc(C)c(C)c1C
InChIInChI=1S/C16H16F2/c1-9-5-6-13(12(4)11(9)3)14-8-16(18)15(17)7-10(14)2/h5-8H,1-4H3
InChIKeyZFEDYMFRSYXQNZ-UHFFFAOYSA-N
MW246.30 g/mol
LogP4.87
Rot. Bonds1

About 1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene

1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene (PubChem CID 91261631) has the molecular formula C16H16F2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene
PubChem CID91261631
Molecular FormulaC16H16F2
Molecular Weight246.30 g/mol
Exact Mass246.12
IUPAC Name1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene
SMILESCc1cc(F)c(F)cc1-c1ccc(C)c(C)c1C
InChIInChI=1S/C16H16F2/c1-9-5-6-13(12(4)11(9)3)14-8-16(18)15(17)7-10(14)2/h5-8H,1-4H3
InChIKeyZFEDYMFRSYXQNZ-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene?
The IUPAC name of 1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene (CID 91261631) is 1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene?
The canonical SMILES for 1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene is Cc1cc(F)c(F)cc1-c1ccc(C)c(C)c1C.
What is the InChIKey of 1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene?
The InChIKey is ZFEDYMFRSYXQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2/c1-9-5-6-13(12(4)11(9)3)14-8-16(18)15(17)7-10(14)2/h5-8H,1-4H3.
What are the key properties of 1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene?
1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene has a molecular weight of 246.30 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene is sourced from PubChem (CID 91261631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).