1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene

C11H10F6 — CID 135742868

IUPAC1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
SMILESCCc1cc(C(F)(F)F)c(C(F)(F)F)cc1C
InChIInChI=1S/C11H10F6/c1-3-7-5-9(11(15,16)17)8(4-6(7)2)10(12,13)14/h4-5H,3H2,1-2H3
InChIKeyFKZXSMSDUUVMNB-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.60
Rot. Bonds1

About 1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene

1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene (PubChem CID 135742868) has the molecular formula C11H10F6 and a molecular weight of 256.19 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
PubChem CID135742868
Molecular FormulaC11H10F6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
SMILESCCc1cc(C(F)(F)F)c(C(F)(F)F)cc1C
InChIInChI=1S/C11H10F6/c1-3-7-5-9(11(15,16)17)8(4-6(7)2)10(12,13)14/h4-5H,3H2,1-2H3
InChIKeyFKZXSMSDUUVMNB-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

1-(bromomethyl)-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135743210
4-ethyl-2,5-bis(trifluoromethyl)phenol
CID 135742857
2-ethyl-4-methyl-1-(trifluoromethyl)benzene
CID 89088576
1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene
CID 147457037
2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine
CID 139336058
1-[4,5-dimethyl-2-(trifluoromethyl)phenyl]ethanone
CID 131384993
5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene
CID 135742866
2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66523493
4-ethyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 119003631
1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene
CID 143655992
methyl N-[3-ethyl-2-[[4-ethyl-5-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-N-hydroxycarbamate
CID 126587848
methyl N-[2-[[4-ethyl-5-methyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]-N-hydroxycarbamate
CID 126587845

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene (CID 135742868) is 1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene is CCc1cc(C(F)(F)F)c(C(F)(F)F)cc1C.
What is the InChIKey of 1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene?
The InChIKey is FKZXSMSDUUVMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6/c1-3-7-5-9(11(15,16)17)8(4-6(7)2)10(12,13)14/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene?
1-ethyl-2-methyl-4,5-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 1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 135742868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).