1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene

C9F12 — CID 2776390

IUPAC1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene
SMILESFc1c(C(F)(F)F)c(F)c(C(F)(F)F)c(F)c1C(F)(F)F
InChIInChI=1S/C9F12/c10-4-1(7(13,14)15)5(11)3(9(19,20)21)6(12)2(4)8(16,17)18
InChIKeyQWZHVIDXHYBBDU-UHFFFAOYSA-N
MW336.08 g/mol
LogP5.16
Rot. Bonds

About 1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene

1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene (PubChem CID 2776390) has the molecular formula C9F12 and a molecular weight of 336.08 g/mol. Its IUPAC name is 1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene
PubChem CID2776390
Molecular FormulaC9F12
Molecular Weight336.08 g/mol
Exact Mass335.98
IUPAC Name1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene
SMILESFc1c(C(F)(F)F)c(F)c(C(F)(F)F)c(F)c1C(F)(F)F
InChIInChI=1S/C9F12/c10-4-1(7(13,14)15)5(11)3(9(19,20)21)6(12)2(4)8(16,17)18
InChIKeyQWZHVIDXHYBBDU-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.08
LogP ≤ 55.16
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-2,4,6-tris(trifluoromethyl)benzene?
The IUPAC name of 1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene (CID 2776390) is 1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene.
What is the SMILES notation for 1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene?
The canonical SMILES for 1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene is Fc1c(C(F)(F)F)c(F)c(C(F)(F)F)c(F)c1C(F)(F)F.
What is the InChIKey of 1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene?
The InChIKey is QWZHVIDXHYBBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F12/c10-4-1(7(13,14)15)5(11)3(9(19,20)21)6(12)2(4)8(16,17)18.
What are the key properties of 1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene?
1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene has a molecular weight of 336.08 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-2,4,6-tris(trifluoromethyl)benzene is sourced from PubChem (CID 2776390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).