1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene

C8H6F4OS — CID 123833545

IUPAC1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene
SMILESCSc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C8H6F4OS/c1-14-5-2-3-6(9)7(4-5)13-8(10,11)12/h2-4H,1H3
InChIKeyGACJPKTVBBAZTL-UHFFFAOYSA-N
MW226.19 g/mol
LogP3.45
Rot. Bonds2

About 1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene

1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene (PubChem CID 123833545) has the molecular formula C8H6F4OS and a molecular weight of 226.19 g/mol. Its IUPAC name is 1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene
PubChem CID123833545
Molecular FormulaC8H6F4OS
Molecular Weight226.19 g/mol
Exact Mass226.01
IUPAC Name1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene
SMILESCSc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C8H6F4OS/c1-14-5-2-3-6(9)7(4-5)13-8(10,11)12/h2-4H,1H3
InChIKeyGACJPKTVBBAZTL-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)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-methyl-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999451
4-methylsulfanyl-2-(trifluoromethoxy)-1-(trifluoromethyl)benzene
CID 170999546
1-bromo-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170998648
1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999445
[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine
CID 151368533
1-fluoro-4-methylsulfanyl-2-propoxybenzene
CID 91657322
ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene
CID 143588899
1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 70907082
2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal
CID 174601594
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
1-fluoro-4-(2-methylbutyl)-2-(trifluoromethoxy)benzene
CID 70852240
3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine
CID 170878567

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene (CID 123833545) is 1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene is CSc1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of 1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene?
The InChIKey is GACJPKTVBBAZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4OS/c1-14-5-2-3-6(9)7(4-5)13-8(10,11)12/h2-4H,1H3.
What are the key properties of 1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene?
1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene has a molecular weight of 226.19 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 123833545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).