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

C13H6F6 — CID 119010297

IUPAC1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(F)c(-c2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C13H6F6/c14-9-5-10(15)12(11(16)6-9)7-2-1-3-8(4-7)13(17,18)19/h1-6H
InChIKeyBLCGJVMQSGRPNH-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.79
Rot. Bonds1

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

1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 119010297) has the molecular formula C13H6F6 and a molecular weight of 276.18 g/mol. Its IUPAC name is 1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
PubChem CID119010297
Molecular FormulaC13H6F6
Molecular Weight276.18 g/mol
Exact Mass276.04
IUPAC Name1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(F)c(-c2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C13H6F6/c14-9-5-10(15)12(11(16)6-9)7-2-1-3-8(4-7)13(17,18)19/h1-6H
InChIKeyBLCGJVMQSGRPNH-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene (CID 119010297) is 1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene is Fc1cc(F)c(-c2cccc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is BLCGJVMQSGRPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6/c14-9-5-10(15)12(11(16)6-9)7-2-1-3-8(4-7)13(17,18)19/h1-6H.
What are the key properties of 1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene?
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 276.18 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119010297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).