2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene

C22H20F2 — CID 102424992

IUPAC2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C22H20F2/c1-14-12-15(2)21(16(3)13-14)22(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h4-13,22H,1-3H3
InChIKeyOSSDIKZYULDSGT-UHFFFAOYSA-N
MW322.40 g/mol
LogP6.07
Rot. Bonds3

About 2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene

2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 102424992) has the molecular formula C22H20F2 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID102424992
Molecular FormulaC22H20F2
Molecular Weight322.40 g/mol
Exact Mass322.15
IUPAC Name2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C22H20F2/c1-14-12-15(2)21(16(3)13-14)22(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h4-13,22H,1-3H3
InChIKeyOSSDIKZYULDSGT-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.40
LogP ≤ 56.07
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

(1R)-1-(4-fluorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81351118
2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
CID 101493519
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline
CID 166514655
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
5-tert-butyl-2-[[4-[4-[(4-tert-butyl-2,6-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]phenyl]-(4-methylphenyl)methyl]-1,3-dimethylbenzene
CID 123777850
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680359
2-[3-chloro-2-(4-fluorophenyl)propyl]-1,3,5-trimethylbenzene
CID 79437417
1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549311
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 165068605

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene (CID 102424992) is 2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(C(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is OSSDIKZYULDSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2/c1-14-12-15(2)21(16(3)13-14)22(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h4-13,22H,1-3H3.
What are the key properties of 2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 322.40 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 102424992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).