1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene

C22H13F9 — CID 173071472

IUPAC1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1C(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H13F9/c23-20(24,25)16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21(26,27)28)15-9-3-6-12-18(15)22(29,30)31/h1-12,19H
InChIKeyMMUIZCJZYHJKAM-UHFFFAOYSA-N
MW448.33 g/mol
LogP7.92
Rot. Bonds3

About 1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene

1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene (PubChem CID 173071472) has the molecular formula C22H13F9 and a molecular weight of 448.33 g/mol. Its IUPAC name is 1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
PubChem CID173071472
Molecular FormulaC22H13F9
Molecular Weight448.33 g/mol
Exact Mass448.09
IUPAC Name1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1C(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H13F9/c23-20(24,25)16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21(26,27)28)15-9-3-6-12-18(15)22(29,30)31/h1-12,19H
InChIKeyMMUIZCJZYHJKAM-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.33
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene
CID 91336792
1-(1-bromoethyl)-2-(trifluoromethyl)benzene
CID 2775621
2-[chloro-[2-(trifluoromethyl)phenyl]methyl]thiophene
CID 61084544
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-(trifluoromethyl)phenol
CID 162212145
(1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171311703
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 103448986

Frequently Asked Questions

What is the IUPAC name of 1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene (CID 173071472) is 1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene is FC(F)(F)c1ccccc1C(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene?
The InChIKey is MMUIZCJZYHJKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F9/c23-20(24,25)16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21(26,27)28)15-9-3-6-12-18(15)22(29,30)31/h1-12,19H.
What are the key properties of 1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene?
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene has a molecular weight of 448.33 g/mol, XLogP of 7.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 173071472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).