1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene

C22H22F6Se2 — CID 134931862

IUPAC1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene
SMILESCCCCCC/C(=C/[Se]c1ccc(C(F)(F)F)cc1)[Se]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H22F6Se2/c1-2-3-4-5-6-20(30-19-13-9-17(10-14-19)22(26,27)28)15-29-18-11-7-16(8-12-18)21(23,24)25/h7-15H,2-6H2,1H3/b20-15-
InChIKeyHFBMFQACZQYDDZ-HKWRFOASSA-N
MW558.33 g/mol
LogP5.90
Rot. Bonds9

About 1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene

1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene (PubChem CID 134931862) has the molecular formula C22H22F6Se2 and a molecular weight of 558.33 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene
PubChem CID134931862
Molecular FormulaC22H22F6Se2
Molecular Weight558.33 g/mol
Exact Mass560.00
IUPAC Name1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene
SMILESCCCCCC/C(=C/[Se]c1ccc(C(F)(F)F)cc1)[Se]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H22F6Se2/c1-2-3-4-5-6-20(30-19-13-9-17(10-14-19)22(26,27)28)15-29-18-11-7-16(8-12-18)21(23,24)25/h7-15H,2-6H2,1H3/b20-15-
InChIKeyHFBMFQACZQYDDZ-HKWRFOASSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.33
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene?
The IUPAC name of 1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene (CID 134931862) is 1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene.
What is the SMILES notation for 1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene?
The canonical SMILES for 1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene is CCCCCC/C(=C/[Se]c1ccc(C(F)(F)F)cc1)[Se]c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene?
The InChIKey is HFBMFQACZQYDDZ-HKWRFOASSA-N. The full InChI is InChI=1S/C22H22F6Se2/c1-2-3-4-5-6-20(30-19-13-9-17(10-14-19)22(26,27)28)15-29-18-11-7-16(8-12-18)21(23,24)25/h7-15H,2-6H2,1H3/b20-15-.
What are the key properties of 1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene?
1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene has a molecular weight of 558.33 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4-[(Z)-1-[4-(trifluoromethyl)phenyl]selanyloct-1-en-2-yl]selanylbenzene is sourced from PubChem (CID 134931862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).