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

C11H10F6 — CID 135742866

IUPAC5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene
SMILESCCc1cc(C(F)(F)F)c(C)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F6/c1-3-7-4-8(10(12,13)14)6(2)9(5-7)11(15,16)17/h4-5H,3H2,1-2H3
InChIKeyDBOHBXHFXPAHAS-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.60
Rot. Bonds1

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

5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene (PubChem CID 135742866) has the molecular formula C11H10F6 and a molecular weight of 256.19 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene
PubChem CID135742866
Molecular FormulaC11H10F6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene
SMILESCCc1cc(C(F)(F)F)c(C)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F6/c1-3-7-4-8(10(12,13)14)6(2)9(5-7)11(15,16)17/h4-5H,3H2,1-2H3
InChIKeyDBOHBXHFXPAHAS-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 88578381
1-(bromomethyl)-5-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742791
1-bromo-5-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 146676150
6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole
CID 134416793
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791
[4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine
CID 135742788
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
2-methyl-5-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2,6-bis(trifluoromethyl)phenyl]-1,3-bis(trifluoromethyl)benzene
CID 169277761
1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene
CID 147457037
1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135742868
1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone
CID 171032505

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene?
The IUPAC name of 5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene (CID 135742866) is 5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene is CCc1cc(C(F)(F)F)c(C)c(C(F)(F)F)c1.
What is the InChIKey of 5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene?
The InChIKey is DBOHBXHFXPAHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6/c1-3-7-4-8(10(12,13)14)6(2)9(5-7)11(15,16)17/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene?
5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene has a molecular weight of 256.19 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 135742866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).