2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene

C14H6F8 — CID 123582186

IUPAC2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C14H6F8/c15-8-2-4-11(14(20,21)22)10(6-8)9-3-1-7(5-12(9)16)13(17,18)19/h1-6H
InChIKeyFOGHGENHLQGRRR-UHFFFAOYSA-N
MW326.19 g/mol
LogP5.67
Rot. Bonds1

About 2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene

2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene (PubChem CID 123582186) has the molecular formula C14H6F8 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
PubChem CID123582186
Molecular FormulaC14H6F8
Molecular Weight326.19 g/mol
Exact Mass326.03
IUPAC Name2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C14H6F8/c15-8-2-4-11(14(20,21)22)10(6-8)9-3-1-7(5-12(9)16)13(17,18)19/h1-6H
InChIKeyFOGHGENHLQGRRR-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene (CID 123582186) is 2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene is Fc1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2F)c1.
What is the InChIKey of 2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene?
The InChIKey is FOGHGENHLQGRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F8/c15-8-2-4-11(14(20,21)22)10(6-8)9-3-1-7(5-12(9)16)13(17,18)19/h1-6H.
What are the key properties of 2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene?
2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)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 2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 123582186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).