1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene

C15H14F2 — CID 134273607

IUPAC1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2c(F)cc(C)cc2F)cc1
InChIInChI=1S/C15H14F2/c1-10-3-5-12(6-4-10)9-13-14(16)7-11(2)8-15(13)17/h3-8H,9H2,1-2H3
InChIKeyAFWKJUVIZCDKLU-UHFFFAOYSA-N
MW232.27 g/mol
LogP4.17
Rot. Bonds2

About 1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene

1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene (PubChem CID 134273607) has the molecular formula C15H14F2 and a molecular weight of 232.27 g/mol. Its IUPAC name is 1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene
PubChem CID134273607
Molecular FormulaC15H14F2
Molecular Weight232.27 g/mol
Exact Mass232.11
IUPAC Name1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2c(F)cc(C)cc2F)cc1
InChIInChI=1S/C15H14F2/c1-10-3-5-12(6-4-10)9-13-14(16)7-11(2)8-15(13)17/h3-8H,9H2,1-2H3
InChIKeyAFWKJUVIZCDKLU-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273599
1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
CID 89328807
2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
CID 134273598
1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane
CID 91507263
2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
CID 24763942
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methanol
CID 91159196
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303
1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene
CID 70911242
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273654

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene (CID 134273607) is 1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene is Cc1ccc(Cc2c(F)cc(C)cc2F)cc1.
What is the InChIKey of 1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene?
The InChIKey is AFWKJUVIZCDKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2/c1-10-3-5-12(6-4-10)9-13-14(16)7-11(2)8-15(13)17/h3-8H,9H2,1-2H3.
What are the key properties of 1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene?
1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene has a molecular weight of 232.27 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 134273607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).