2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene

C14H12F2 — CID 59215467

IUPAC2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene
SMILESCc1ccc(-c2ccc(CF)cc2)c(F)c1
InChIInChI=1S/C14H12F2/c1-10-2-7-13(14(16)8-10)12-5-3-11(9-15)4-6-12/h2-8H,9H2,1H3
InChIKeyLYPCMGUXKSCPEK-UHFFFAOYSA-N
MW218.25 g/mol
LogP4.27
Rot. Bonds2

About 2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene

2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene (PubChem CID 59215467) has the molecular formula C14H12F2 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene
PubChem CID59215467
Molecular FormulaC14H12F2
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene
SMILESCc1ccc(-c2ccc(CF)cc2)c(F)c1
InChIInChI=1S/C14H12F2/c1-10-2-7-13(14(16)8-10)12-5-3-11(9-15)4-6-12/h2-8H,9H2,1H3
InChIKeyLYPCMGUXKSCPEK-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
CID 174355858
4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline
CID 166120430
4-(2-fluoro-4-methylphenyl)benzonitrile
CID 18724351
2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336
1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59557505
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59499857
5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene
CID 20683371
2-fluoro-4-methyl-1-(3-methylphenyl)benzene
CID 142157742
2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene
CID 139847087
2-fluoro-4-(2-fluoro-4-methylphenyl)phenol
CID 53219309

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene?
The IUPAC name of 2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene (CID 59215467) is 2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene.
What is the SMILES notation for 2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene?
The canonical SMILES for 2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene is Cc1ccc(-c2ccc(CF)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene?
The InChIKey is LYPCMGUXKSCPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2/c1-10-2-7-13(14(16)8-10)12-5-3-11(9-15)4-6-12/h2-8H,9H2,1H3.
What are the key properties of 2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene?
2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene has a molecular weight of 218.25 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene is sourced from PubChem (CID 59215467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).