1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene

C12H15F3O — CID 118068021

IUPAC1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene
SMILESCc1c(C)c(C)c(OC(F)(F)F)c(C)c1C
InChIInChI=1S/C12H15F3O/c1-6-7(2)9(4)11(10(5)8(6)3)16-12(13,14)15/h1-5H3
InChIKeyRWZXUHWDXXWTHX-UHFFFAOYSA-N
MW232.24 g/mol
LogP4.13
Rot. Bonds1

About 1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene

1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene (PubChem CID 118068021) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene
PubChem CID118068021
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene
SMILESCc1c(C)c(C)c(OC(F)(F)F)c(C)c1C
InChIInChI=1S/C12H15F3O/c1-6-7(2)9(4)11(10(5)8(6)3)16-12(13,14)15/h1-5H3
InChIKeyRWZXUHWDXXWTHX-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
CID 54008381
1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene
CID 173196133
2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine
CID 119021842
5-chloro-2-fluoro-3-methyl-4-(trifluoromethoxy)pyridine
CID 130951618
1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene
CID 59592266
6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111106
2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
CID 130898141
2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 146293235
1-chloro-3-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775479
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546
3-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130883665
2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine
CID 130094249

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene (CID 118068021) is 1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene is Cc1c(C)c(C)c(OC(F)(F)F)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene?
The InChIKey is RWZXUHWDXXWTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-6-7(2)9(4)11(10(5)8(6)3)16-12(13,14)15/h1-5H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene?
1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene has a molecular weight of 232.24 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene is sourced from PubChem (CID 118068021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).