1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene

C22H12F6 — CID 143875518

IUPAC1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
SMILESFC(F)(F)c1ccc(C#Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C22H12F6/c23-21(24,25)19-11-5-16(6-12-19)2-1-15-3-7-17(8-4-15)18-9-13-20(14-10-18)22(26,27)28/h3-14H
InChIKeySVGPOFXCRLUNFA-UHFFFAOYSA-N
MW390.33 g/mol
LogP6.79
Rot. Bonds1

About 1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene

1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene (PubChem CID 143875518) has the molecular formula C22H12F6 and a molecular weight of 390.33 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
PubChem CID143875518
Molecular FormulaC22H12F6
Molecular Weight390.33 g/mol
Exact Mass390.08
IUPAC Name1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
SMILESFC(F)(F)c1ccc(C#Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C22H12F6/c23-21(24,25)19-11-5-16(6-12-19)2-1-15-3-7-17(8-4-15)18-9-13-20(14-10-18)22(26,27)28/h3-14H
InChIKeySVGPOFXCRLUNFA-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.33
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-pent-4-en-1-ynyl-4-(trifluoromethyl)benzene
CID 166522966
1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]naphthalene
CID 59146812
3-(4-methylphenyl)-4-[4-[2-[4-[3-oxo-2,4-diphenyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]phenyl]ethynyl]phenyl]-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 123533466
ethane;1-(3-methylbut-1-ynyl)-4-(trifluoromethyl)benzene
CID 143067746
9-phenyl-10-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene
CID 58730020
1-pent-1-ynyl-4-(trifluoromethyl)benzene
CID 68880068
2-[4-(trifluoromethyl)phenyl]ethynesulfonamide
CID 174814107
3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile
CID 165437699
1-(3-methoxyprop-1-ynyl)-4-(trifluoromethyl)benzene
CID 21305207

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene?
The IUPAC name of 1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene (CID 143875518) is 1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene?
The canonical SMILES for 1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene is FC(F)(F)c1ccc(C#Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene?
The InChIKey is SVGPOFXCRLUNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6/c23-21(24,25)19-11-5-16(6-12-19)2-1-15-3-7-17(8-4-15)18-9-13-20(14-10-18)22(26,27)28/h3-14H.
What are the key properties of 1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene?
1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene has a molecular weight of 390.33 g/mol, XLogP of 6.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene is sourced from PubChem (CID 143875518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).