1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene

C20H14F4 — CID 59557505

IUPAC1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3cc(F)c(CF)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C20H14F4/c1-12-2-4-13(5-3-12)14-6-7-16(18(22)8-14)15-9-19(23)17(11-21)20(24)10-15/h2-10H,11H2,1H3
InChIKeyFIMFSOMMJLSARU-UHFFFAOYSA-N
MW330.32 g/mol
LogP6.22
Rot. Bonds3

About 1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene

1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene (PubChem CID 59557505) has the molecular formula C20H14F4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
PubChem CID59557505
Molecular FormulaC20H14F4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3cc(F)c(CF)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C20H14F4/c1-12-2-4-13(5-3-12)14-6-7-16(18(22)8-14)15-9-19(23)17(11-21)20(24)10-15/h2-10H,11H2,1H3
InChIKeyFIMFSOMMJLSARU-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.32
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine
CID 59330238
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59499857
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
CID 130468833
2,6-difluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzonitrile
CID 90211912
1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
CID 159994488
2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene
CID 59215467
4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene
CID 59307258
(4-cyano-3,5-difluorophenyl) hypofluorite;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;ethane
CID 160927274
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

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene (CID 59557505) is 1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2ccc(-c3cc(F)c(CF)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
The InChIKey is FIMFSOMMJLSARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4/c1-12-2-4-13(5-3-12)14-6-7-16(18(22)8-14)15-9-19(23)17(11-21)20(24)10-15/h2-10H,11H2,1H3.
What are the key properties of 1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene has a molecular weight of 330.32 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 59557505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).