1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene

C13H14F6 — CID 134199507

IUPAC1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
SMILESCc1ccc(CC(C)(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C13H14F6/c1-8-4-5-10(6-9(8)2)7-11(3,12(14,15)16)13(17,18)19/h4-6H,7H2,1-3H3
InChIKeyOIUVESJEDNLASS-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.98
Rot. Bonds2

About 1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene

1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene (PubChem CID 134199507) has the molecular formula C13H14F6 and a molecular weight of 284.24 g/mol. Its IUPAC name is 1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
PubChem CID134199507
Molecular FormulaC13H14F6
Molecular Weight284.24 g/mol
Exact Mass284.10
IUPAC Name1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
SMILESCc1ccc(CC(C)(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C13H14F6/c1-8-4-5-10(6-9(8)2)7-11(3,12(14,15)16)13(17,18)19/h4-6H,7H2,1-3H3
InChIKeyOIUVESJEDNLASS-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[2-[(3,4-dimethylphenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2-dimethylbenzene
CID 126515390
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene
CID 165172707
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-2-benzofuran-1,3-dione
CID 137483304
1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
CID 162137474
1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene
CID 62903326
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 158847431
3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 62723735
1-(3,4-dimethylphenyl)-2-(4-ethylphenyl)propan-2-amine
CID 63408206
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671
2-[(3,4-dimethylphenyl)methyl]-2-ethylpropane-1,3-diol
CID 79450388

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene?
The IUPAC name of 1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene (CID 134199507) is 1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene.
What is the SMILES notation for 1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene?
The canonical SMILES for 1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene is Cc1ccc(CC(C)(C(F)(F)F)C(F)(F)F)cc1C.
What is the InChIKey of 1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene?
The InChIKey is OIUVESJEDNLASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6/c1-8-4-5-10(6-9(8)2)7-11(3,12(14,15)16)13(17,18)19/h4-6H,7H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene?
1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene has a molecular weight of 284.24 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene is sourced from PubChem (CID 134199507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).