1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene

C16F18 — CID 178120433

IUPAC1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene
SMILESFc1c(-c2c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c2F)c(F)c(C(F)(F)F)c(F)c1C(F)(F)F
InChIInChI=1S/C16F18/c17-7-1(8(18)4(14(26,27)28)11(21)3(7)13(23,24)25)2-9(19)5(15(29,30)31)12(22)6(10(2)20)16(32,33)34
InChIKeyXSDWXYCRZNZUFC-UHFFFAOYSA-N
MW534.14 g/mol
LogP8.26
Rot. Bonds1

About 1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene

1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene (PubChem CID 178120433) has the molecular formula C16F18 and a molecular weight of 534.14 g/mol. Its IUPAC name is 1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene
PubChem CID178120433
Molecular FormulaC16F18
Molecular Weight534.14 g/mol
Exact Mass533.97
IUPAC Name1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene
SMILESFc1c(-c2c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c2F)c(F)c(C(F)(F)F)c(F)c1C(F)(F)F
InChIInChI=1S/C16F18/c17-7-1(8(18)4(14(26,27)28)11(21)3(7)13(23,24)25)2-9(19)5(15(29,30)31)12(22)6(10(2)20)16(32,33)34
InChIKeyXSDWXYCRZNZUFC-UHFFFAOYSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.14
LogP ≤ 58.26
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-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene?
The IUPAC name of 1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene (CID 178120433) is 1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene?
The canonical SMILES for 1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene is Fc1c(-c2c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c2F)c(F)c(C(F)(F)F)c(F)c1C(F)(F)F.
What is the InChIKey of 1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene?
The InChIKey is XSDWXYCRZNZUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F18/c17-7-1(8(18)4(14(26,27)28)11(21)3(7)13(23,24)25)2-9(19)5(15(29,30)31)12(22)6(10(2)20)16(32,33)34.
What are the key properties of 1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene?
1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene has a molecular weight of 534.14 g/mol, XLogP of 8.26, 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-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene is sourced from PubChem (CID 178120433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).