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

C16H6F12Se2 — CID 10841050

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc([Se][Se]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H6F12Se2/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)29-30-12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6H
InChIKeyNRZFMEPRSSEGOP-UHFFFAOYSA-N
MW584.12 g/mol
LogP5.04
Rot. Bonds3

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

1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene (PubChem CID 10841050) has the molecular formula C16H6F12Se2 and a molecular weight of 584.12 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene
PubChem CID10841050
Molecular FormulaC16H6F12Se2
Molecular Weight584.12 g/mol
Exact Mass585.86
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc([Se][Se]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H6F12Se2/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)29-30-12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6H
InChIKeyNRZFMEPRSSEGOP-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.12
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene (CID 10841050) is 1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene is FC(F)(F)c1cc([Se][Se]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]diselanyl]-3,5-bis(trifluoromethyl)benzene?
The InChIKey is NRZFMEPRSSEGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F12Se2/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)29-30-12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6H.
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene?
1-[[3,5-bis(trifluoromethyl)phenyl]diselanyl]-3,5-bis(trifluoromethyl)benzene has a molecular weight of 584.12 g/mol, XLogP of 5.04, 3 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]diselanyl]-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 10841050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).