1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene

C14H6F8 — CID 118846513

IUPAC1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(-c2ccccc2C(F)(F)F)cc(F)c1C(F)(F)F
InChIInChI=1S/C14H6F8/c15-10-5-7(6-11(16)12(10)14(20,21)22)8-3-1-2-4-9(8)13(17,18)19/h1-6H
InChIKeyVQFDSIPJGXCTNC-UHFFFAOYSA-N
MW326.19 g/mol
LogP5.67
Rot. Bonds1

About 1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene

1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 118846513) has the molecular formula C14H6F8 and a molecular weight of 326.19 g/mol. Its IUPAC name is 1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
PubChem CID118846513
Molecular FormulaC14H6F8
Molecular Weight326.19 g/mol
Exact Mass326.03
IUPAC Name1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(-c2ccccc2C(F)(F)F)cc(F)c1C(F)(F)F
InChIInChI=1S/C14H6F8/c15-10-5-7(6-11(16)12(10)14(20,21)22)8-3-1-2-4-9(8)13(17,18)19/h1-6H
InChIKeyVQFDSIPJGXCTNC-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.19
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
2-fluoro-1,3-dinitro-5-[2-(trifluoromethyl)phenyl]benzene
CID 174425918
[2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134628152
4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
CID 118823457
1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene
CID 134617391
5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 176828118
1,3-dinitro-5-[2-(trifluoromethyl)phenyl]benzene
CID 169099644
4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 118850193
4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde
CID 163411255

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene (CID 118846513) is 1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene is Fc1cc(-c2ccccc2C(F)(F)F)cc(F)c1C(F)(F)F.
What is the InChIKey of 1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is VQFDSIPJGXCTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F8/c15-10-5-7(6-11(16)12(10)14(20,21)22)8-3-1-2-4-9(8)13(17,18)19/h1-6H.
What are the key properties of 1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene?
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 326.19 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 118846513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).