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

C8H6F4S — CID 129162706

IUPAC4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene
SMILESCSc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C8H6F4S/c1-13-7-4-5(9)2-3-6(7)8(10,11)12/h2-4H,1H3
InChIKeyXZPSKAKXUMMAGH-UHFFFAOYSA-N
MW210.20 g/mol
LogP3.57
Rot. Bonds1

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

4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene (PubChem CID 129162706) has the molecular formula C8H6F4S and a molecular weight of 210.20 g/mol. Its IUPAC name is 4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene
PubChem CID129162706
Molecular FormulaC8H6F4S
Molecular Weight210.20 g/mol
Exact Mass210.01
IUPAC Name4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene
SMILESCSc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C8H6F4S/c1-13-7-4-5(9)2-3-6(7)8(10,11)12/h2-4H,1H3
InChIKeyXZPSKAKXUMMAGH-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylsulfanyl-5-(trifluoromethyl)benzene-1,2-diamine
CID 134459780
4-fluoro-2-methylsulfanylphenol
CID 13199340
2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene
CID 11230374
4-fluoro-2-methylsulfanylbenzonitrile
CID 16753944
4-fluoro-1-(1,1,2-trifluoroethyl)-2-(trifluoromethyl)benzene
CID 21036142
(3Z)-4-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]buta-1,3-diene-1,1,4-triamine
CID 178030235
2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol
CID 164893361
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine
CID 142918482
4-fluoro-2-methyl-1-methylsulfanylbenzene
CID 53414601

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene?
The IUPAC name of 4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene (CID 129162706) is 4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene is CSc1cc(F)ccc1C(F)(F)F.
What is the InChIKey of 4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene?
The InChIKey is XZPSKAKXUMMAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4S/c1-13-7-4-5(9)2-3-6(7)8(10,11)12/h2-4H,1H3.
What are the key properties of 4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene?
4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene has a molecular weight of 210.20 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene is sourced from PubChem (CID 129162706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).