1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene

C10H8F6O2 — CID 173196133

IUPAC1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene
SMILESCc1ccc(OC(F)(F)F)c(C)c1OC(F)(F)F
InChIInChI=1S/C10H8F6O2/c1-5-3-4-7(17-9(11,12)13)6(2)8(5)18-10(14,15)16/h3-4H,1-2H3
InChIKeyNPQFBRUIUWXSRO-UHFFFAOYSA-N
MW274.16 g/mol
LogP4.10
Rot. Bonds2

About 1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene

1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene (PubChem CID 173196133) has the molecular formula C10H8F6O2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene
PubChem CID173196133
Molecular FormulaC10H8F6O2
Molecular Weight274.16 g/mol
Exact Mass274.04
IUPAC Name1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene
SMILESCc1ccc(OC(F)(F)F)c(C)c1OC(F)(F)F
InChIInChI=1S/C10H8F6O2/c1-5-3-4-7(17-9(11,12)13)6(2)8(5)18-10(14,15)16/h3-4H,1-2H3
InChIKeyNPQFBRUIUWXSRO-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

1,3-dimethyl-2-nitro-4-(trifluoromethoxy)benzene
CID 118819026
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene
CID 134622447
2-chloro-3-methyl-6-(trifluoromethoxy)aniline
CID 118997180
1-methyl-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999451
1-bromo-4-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171008829
1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene
CID 59592266
1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene
CID 118068021
2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 146293235
1-chloro-3-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775479
4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene
CID 90224248
1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene
CID 118269087

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene?
The IUPAC name of 1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene (CID 173196133) is 1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene.
What is the SMILES notation for 1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene?
The canonical SMILES for 1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene is Cc1ccc(OC(F)(F)F)c(C)c1OC(F)(F)F.
What is the InChIKey of 1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene?
The InChIKey is NPQFBRUIUWXSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O2/c1-5-3-4-7(17-9(11,12)13)6(2)8(5)18-10(14,15)16/h3-4H,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene?
1,3-dimethyl-2,4-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 1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene is sourced from PubChem (CID 173196133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).