2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene

C10H11F3OS — CID 164892008

IUPAC2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
SMILESCCOc1cc(C(F)(F)F)ccc1SC
InChIInChI=1S/C10H11F3OS/c1-3-14-8-6-7(10(11,12)13)4-5-9(8)15-2/h4-6H,3H2,1-2H3
InChIKeyCKKBXOJJKFQYDW-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.83
Rot. Bonds3

About 2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene

2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene (PubChem CID 164892008) has the molecular formula C10H11F3OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
PubChem CID164892008
Molecular FormulaC10H11F3OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
SMILESCCOc1cc(C(F)(F)F)ccc1SC
InChIInChI=1S/C10H11F3OS/c1-3-14-8-6-7(10(11,12)13)4-5-9(8)15-2/h4-6H,3H2,1-2H3
InChIKeyCKKBXOJJKFQYDW-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-1-methylsulfanyl-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

2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
CID 164892007
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 82262869
2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380765
1-chloro-1-[2-ethoxy-4-(trifluoromethyl)phenyl]propan-2-one
CID 166640934
3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164891294
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide
CID 1232472
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 167530945
1-ethoxy-2-hept-4-yn-2-yl-4-(trifluoromethyl)benzene
CID 83921221
2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 163641356

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene (CID 164892008) is 2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene is CCOc1cc(C(F)(F)F)ccc1SC.
What is the InChIKey of 2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene?
The InChIKey is CKKBXOJJKFQYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OS/c1-3-14-8-6-7(10(11,12)13)4-5-9(8)15-2/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene?
2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene has a molecular weight of 236.26 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 164892008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).