2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene

C13H14F6 — CID 121459267

IUPAC2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene
SMILESCc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(C)(C)C
InChIInChI=1S/C13H14F6/c1-7-5-8(12(14,15)16)6-9(13(17,18)19)10(7)11(2,3)4/h5-6H,1-4H3
InChIKeyVCKJARFHPXKUJR-UHFFFAOYSA-N
MW284.24 g/mol
LogP5.33
Rot. Bonds

About 2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene

2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene (PubChem CID 121459267) has the molecular formula C13H14F6 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene
PubChem CID121459267
Molecular FormulaC13H14F6
Molecular Weight284.24 g/mol
Exact Mass284.10
IUPAC Name2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene
SMILESCc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(C)(C)C
InChIInChI=1S/C13H14F6/c1-7-5-8(12(14,15)16)6-9(13(17,18)19)10(7)11(2,3)4/h5-6H,1-4H3
InChIKeyVCKJARFHPXKUJR-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.24
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-tert-butyl-1,3-dimethyl-2-(trifluoromethyl)benzene
CID 116964832
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
1,2-ditert-butyl-3,5-dimethylbenzene
CID 159753674
4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 155459340
1,2,3,5-tetratert-butylbenzene
CID 18679123
1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene
CID 74891112
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
2,6-dimethyl-4-(trifluoromethyl)aniline;methane
CID 160577208
2-fluorosulfonyloxy-1-methyl-3,5-bis(trifluoromethyl)benzene
CID 118654442
[2-methyl-4,6-bis(trifluoromethyl)phenyl]-diphenylsulfanium
CID 158764724
3-methyl-4-(2-methylbutan-2-yl)-5-(trifluoromethyl)phenol
CID 121384532
bis[2-methyl-3,5-bis(trifluoromethyl)phenyl]methanone
CID 139698506

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene (CID 121459267) is 2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene is Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene?
The InChIKey is VCKJARFHPXKUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6/c1-7-5-8(12(14,15)16)6-9(13(17,18)19)10(7)11(2,3)4/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene?
2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene has a molecular weight of 284.24 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 121459267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).