1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene

C10H8F6O2 — CID 59592266

IUPAC1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene
SMILESCc1cc(C)c(OC(F)(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H8F6O2/c1-5-3-6(2)8(18-10(14,15)16)7(4-5)17-9(11,12)13/h3-4H,1-2H3
InChIKeyVIMKRLKJGSKNKF-UHFFFAOYSA-N
MW274.16 g/mol
LogP4.10
Rot. Bonds2

About 1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene

1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene (PubChem CID 59592266) has the molecular formula C10H8F6O2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene
PubChem CID59592266
Molecular FormulaC10H8F6O2
Molecular Weight274.16 g/mol
Exact Mass274.04
IUPAC Name1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene
SMILESCc1cc(C)c(OC(F)(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H8F6O2/c1-5-3-6(2)8(18-10(14,15)16)7(4-5)17-9(11,12)13/h3-4H,1-2H3
InChIKeyVIMKRLKJGSKNKF-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 171003967
1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene
CID 173196133
2-chloro-5-methyl-1-nitro-3-(trifluoromethoxy)benzene
CID 118799998
3-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130883665
2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 130094266
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane
CID 144770894
4-[3,5-dimethyl-4-(trifluoromethoxy)phenyl]benzenethiol
CID 177164257
3-methyl-4-(trifluoromethoxy)benzaldehyde
CID 88929764
1-chloro-5-methyl-2-nitro-3-(trifluoromethoxy)benzene
CID 134629875
1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene
CID 118068021
4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene
CID 90224248

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene?
The IUPAC name of 1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene (CID 59592266) is 1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene.
What is the SMILES notation for 1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene?
The canonical SMILES for 1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene is Cc1cc(C)c(OC(F)(F)F)c(OC(F)(F)F)c1.
What is the InChIKey of 1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene?
The InChIKey is VIMKRLKJGSKNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O2/c1-5-3-6(2)8(18-10(14,15)16)7(4-5)17-9(11,12)13/h3-4H,1-2H3.
What are the key properties of 1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene?
1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene has a molecular weight of 274.16 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene is sourced from PubChem (CID 59592266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).