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

C16H6F12 — CID 2807045

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H6F12/c17-13(18,19)9-1-7(2-10(5-9)14(20,21)22)8-3-11(15(23,24)25)6-12(4-8)16(26,27)28/h1-6H
InChIKeyIQHJEYAGPZJROH-UHFFFAOYSA-N
MW426.20 g/mol
LogP7.43
Rot. Bonds1

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

1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene (PubChem CID 2807045) has the molecular formula C16H6F12 and a molecular weight of 426.20 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
PubChem CID2807045
Molecular FormulaC16H6F12
Molecular Weight426.20 g/mol
Exact Mass426.03
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H6F12/c17-13(18,19)9-1-7(2-10(5-9)14(20,21)22)8-3-11(15(23,24)25)6-12(4-8)16(26,27)28/h1-6H
InChIKeyIQHJEYAGPZJROH-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.20
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene (CID 2807045) is 1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene is FC(F)(F)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene?
The InChIKey is IQHJEYAGPZJROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F12/c17-13(18,19)9-1-7(2-10(5-9)14(20,21)22)8-3-11(15(23,24)25)6-12(4-8)16(26,27)28/h1-6H.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene?
1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene has a molecular weight of 426.20 g/mol, XLogP of 7.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 2807045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).