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

C15H14F2 — CID 14938913

IUPAC1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
SMILESCc1ccc(C(F)(F)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H14F2/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyKOWQZPMGXUMKJZ-UHFFFAOYSA-N
MW232.27 g/mol
LogP4.44
Rot. Bonds2

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

1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene (PubChem CID 14938913) has the molecular formula C15H14F2 and a molecular weight of 232.27 g/mol. Its IUPAC name is 1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
PubChem CID14938913
Molecular FormulaC15H14F2
Molecular Weight232.27 g/mol
Exact Mass232.11
IUPAC Name1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
SMILESCc1ccc(C(F)(F)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H14F2/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyKOWQZPMGXUMKJZ-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
[difluoro-(4-methylphenyl)methyl]thallium
CID 153168176
1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene
CID 22261761
1-fluoro-1-(4-methylphenyl)ethanethiol
CID 145074057
1-tert-butyl-4-methylbenzene
CID 163486601
dichloro(difluoro)methane;1,4-xylene
CID 161479390
1-methyl-4-[2,2,2-trifluoro-1-iodo-1-(4-methylphenyl)ethyl]benzene
CID 144855908
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 157463661
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene (CID 14938913) is 1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene is Cc1ccc(C(F)(F)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene?
The InChIKey is KOWQZPMGXUMKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene?
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene has a molecular weight of 232.27 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 14938913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).