2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane

C27H24F2 — CID 161341950

IUPAC2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
SMILESC.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C26H20F2.CH4/c1-17-3-7-19(8-4-17)21-11-13-24(25(27)15-21)22-12-14-23(26(28)16-22)20-9-5-18(2)6-10-20;/h3-16H,1-2H3;1H4
InChIKeyVMUARMJNKLGAKO-UHFFFAOYSA-N
MW386.49 g/mol
LogP8.22
Rot. Bonds3

About 2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane

2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane (PubChem CID 161341950) has the molecular formula C27H24F2 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane.

Molecular Properties

Compound Name2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
PubChem CID161341950
Molecular FormulaC27H24F2
Molecular Weight386.49 g/mol
Exact Mass386.18
IUPAC Name2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
SMILESC.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C26H20F2.CH4/c1-17-3-7-19(8-4-17)21-11-13-24(25(27)15-21)22-12-14-23(26(28)16-22)20-9-5-18(2)6-10-20;/h3-16H,1-2H3;1H4
InChIKeyVMUARMJNKLGAKO-UHFFFAOYSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
CID 130468833
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-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59499857
1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
CID 159994488
2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
CID 58756075
2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
CID 130359097
1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59557505
2,6-difluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzonitrile
CID 90211912
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane?
The IUPAC name of 2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane (CID 161341950) is 2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane.
What is the SMILES notation for 2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane?
The canonical SMILES for 2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane is C.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane?
The InChIKey is VMUARMJNKLGAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2.CH4/c1-17-3-7-19(8-4-17)21-11-13-24(25(27)15-21)22-12-14-23(26(28)16-22)20-9-5-18(2)6-10-20;/h3-16H,1-2H3;1H4.
What are the key properties of 2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane?
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane has a molecular weight of 386.49 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane is sourced from PubChem (CID 161341950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).