1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene

C9H8F4S — CID 91658188

IUPAC1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene
SMILESCCSc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F4S/c1-2-14-8-4-6(9(11,12)13)3-7(10)5-8/h3-5H,2H2,1H3
InChIKeyWCAHSKCDQCORMA-UHFFFAOYSA-N
MW224.22 g/mol
LogP3.96
Rot. Bonds2

About 1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene

1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene (PubChem CID 91658188) has the molecular formula C9H8F4S and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene
PubChem CID91658188
Molecular FormulaC9H8F4S
Molecular Weight224.22 g/mol
Exact Mass224.03
IUPAC Name1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene
SMILESCCSc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F4S/c1-2-14-8-4-6(9(11,12)13)3-7(10)5-8/h3-5H,2H2,1H3
InChIKeyWCAHSKCDQCORMA-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene
CID 91876365
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
1-[(4-ethylsulfanylphenyl)methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 166650200
1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene
CID 118269607
1-fluoro-3-(trifluoromethyl)-5-(trioxidanylsulfanyl)benzene
CID 58860218
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
2-ethylsulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene
CID 44589159
4-ethylsulfanyl-2-(trifluoromethyl)-1H-pyrrole
CID 174868175
4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene
CID 91876360

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene?
The IUPAC name of 1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene (CID 91658188) is 1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene is CCSc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene?
The InChIKey is WCAHSKCDQCORMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4S/c1-2-14-8-4-6(9(11,12)13)3-7(10)5-8/h3-5H,2H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene?
1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene has a molecular weight of 224.22 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 91658188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).