3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene

C11H12ClF3 — CID 176694271

IUPAC3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene
SMILESCCc1ccc(C(F)(F)F)c(Cl)c1CC
InChIInChI=1S/C11H12ClF3/c1-3-7-5-6-9(11(13,14)15)10(12)8(7)4-2/h5-6H,3-4H2,1-2H3
InChIKeyMZOXDXDVMYHJAE-UHFFFAOYSA-N
MW236.66 g/mol
LogP4.48
Rot. Bonds2

About 3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene

3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene (PubChem CID 176694271) has the molecular formula C11H12ClF3 and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene
PubChem CID176694271
Molecular FormulaC11H12ClF3
Molecular Weight236.66 g/mol
Exact Mass236.06
IUPAC Name3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene
SMILESCCc1ccc(C(F)(F)F)c(Cl)c1CC
InChIInChI=1S/C11H12ClF3/c1-3-7-5-6-9(11(13,14)15)10(12)8(7)4-2/h5-6H,3-4H2,1-2H3
InChIKeyMZOXDXDVMYHJAE-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene
CID 122548871
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid
CID 119006326
1-(bromomethyl)-3-ethyl-2,4-bis(trifluoromethyl)benzene
CID 135742793
methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate
CID 170995993
2,3-diethyl-4-(trifluoromethyl)phenol
CID 150673700
2-ethyl-4-methyl-1-(trifluoromethyl)benzene
CID 89088576
1-ethyl-2-methylsulfanyl-3,4-bis(trifluoromethyl)benzene
CID 135742843
2,3,6-triethylaniline
CID 21412862
1-(chloromethyl)-4-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742827
methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate
CID 171030057
6-ethyl-2,3-bis(trifluoromethyl)benzonitrile
CID 135742790

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene?
The IUPAC name of 3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene (CID 176694271) is 3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene is CCc1ccc(C(F)(F)F)c(Cl)c1CC.
What is the InChIKey of 3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene?
The InChIKey is MZOXDXDVMYHJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3/c1-3-7-5-6-9(11(13,14)15)10(12)8(7)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene?
3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene has a molecular weight of 236.66 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 176694271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).