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

C21H16F6 — CID 159994488

IUPAC1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
SMILESC.Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C20H12F6.CH4/c1-11-2-4-12(5-3-11)13-6-7-15(16(21)8-13)14-9-17(22)19(18(23)10-14)20(24,25)26;/h2-10H,1H3;1H4
InChIKeyOHJFHJBNKODFQE-UHFFFAOYSA-N
MW382.35 g/mol
LogP7.40
Rot. Bonds2

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

1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane (PubChem CID 159994488) has the molecular formula C21H16F6 and a molecular weight of 382.35 g/mol. Its IUPAC name is 1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane.

Molecular Properties

Compound Name1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
PubChem CID159994488
Molecular FormulaC21H16F6
Molecular Weight382.35 g/mol
Exact Mass382.12
IUPAC Name1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
SMILESC.Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C20H12F6.CH4/c1-11-2-4-12(5-3-11)13-6-7-15(16(21)8-13)14-9-17(22)19(18(23)10-14)20(24,25)26;/h2-10H,1H3;1H4
InChIKeyOHJFHJBNKODFQE-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.35
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 145464175
1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
CID 21026844
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
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-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine
CID 162556013
5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 150640435
[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol
CID 70852511
1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59557505
2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
CID 130468833
2,6-difluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzonitrile
CID 90211912
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane?
The IUPAC name of 1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane (CID 159994488) is 1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane.
What is the SMILES notation for 1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane?
The canonical SMILES for 1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane is C.Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane?
The InChIKey is OHJFHJBNKODFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6.CH4/c1-11-2-4-12(5-3-11)13-6-7-15(16(21)8-13)14-9-17(22)19(18(23)10-14)20(24,25)26;/h2-10H,1H3;1H4.
What are the key properties of 1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane?
1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane has a molecular weight of 382.35 g/mol, XLogP of 7.40, 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-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane is sourced from PubChem (CID 159994488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).