1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene

C18H19F3 — CID 20719271

IUPAC1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESCC(C)(C)c1ccc(Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3/c1-17(2,3)15-8-4-13(5-9-15)12-14-6-10-16(11-7-14)18(19,20)21/h4-11H,12H2,1-3H3
InChIKeyQETXBKJKKBCAPH-UHFFFAOYSA-N
MW292.34 g/mol
LogP5.59
Rot. Bonds2

About 1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene

1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 20719271) has the molecular formula C18H19F3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID20719271
Molecular FormulaC18H19F3
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESCC(C)(C)c1ccc(Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3/c1-17(2,3)15-8-4-13(5-9-15)12-14-6-10-16(11-7-14)18(19,20)21/h4-11H,12H2,1-3H3
InChIKeyQETXBKJKKBCAPH-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetradeuteriobenzene
CID 163449153
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
CID 143086936
1-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentadeuteriobenzene
CID 132540823

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene (CID 20719271) is 1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene is CC(C)(C)c1ccc(Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is QETXBKJKKBCAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3/c1-17(2,3)15-8-4-13(5-9-15)12-14-6-10-16(11-7-14)18(19,20)21/h4-11H,12H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene?
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene has a molecular weight of 292.34 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 20719271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).