2-ethyl-4-methyl-1-(trifluoromethyl)benzene

C10H11F3 — CID 89088576

IUPAC2-ethyl-4-methyl-1-(trifluoromethyl)benzene
SMILESCCc1cc(C)ccc1C(F)(F)F
InChIInChI=1S/C10H11F3/c1-3-8-6-7(2)4-5-9(8)10(11,12)13/h4-6H,3H2,1-2H3
InChIKeyOAMIZECRWXGZIM-UHFFFAOYSA-N
MW188.19 g/mol
LogP3.58
Rot. Bonds1

About 2-ethyl-4-methyl-1-(trifluoromethyl)benzene

2-ethyl-4-methyl-1-(trifluoromethyl)benzene (PubChem CID 89088576) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethyl-4-methyl-1-(trifluoromethyl)benzene
PubChem CID89088576
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name2-ethyl-4-methyl-1-(trifluoromethyl)benzene
SMILESCCc1cc(C)ccc1C(F)(F)F
InChIInChI=1S/C10H11F3/c1-3-8-6-7(2)4-5-9(8)10(11,12)13/h4-6H,3H2,1-2H3
InChIKeyOAMIZECRWXGZIM-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 156849362
(2S)-2-amino-3-[5-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 93478155
1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene
CID 147457037
ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 177155724
1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
CID 91883597
1,2-diethyl-4-methylbenzene;methane
CID 174446118
2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide
CID 175198637
1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135742868
1-[2-(1,1-difluoroethyl)-5-methylphenyl]propan-2-one
CID 84679044
2-ethyl-5-methylbenzenethiol
CID 91873863
5-methyl-2-(trifluoromethyl)benzenesulfinate
CID 174375406

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1-(trifluoromethyl)benzene?
The IUPAC name of 2-ethyl-4-methyl-1-(trifluoromethyl)benzene (CID 89088576) is 2-ethyl-4-methyl-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethyl-4-methyl-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethyl-4-methyl-1-(trifluoromethyl)benzene is CCc1cc(C)ccc1C(F)(F)F.
What is the InChIKey of 2-ethyl-4-methyl-1-(trifluoromethyl)benzene?
The InChIKey is OAMIZECRWXGZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3/c1-3-8-6-7(2)4-5-9(8)10(11,12)13/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-1-(trifluoromethyl)benzene?
2-ethyl-4-methyl-1-(trifluoromethyl)benzene has a molecular weight of 188.19 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1-(trifluoromethyl)benzene is sourced from PubChem (CID 89088576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).