1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene

C9H8F4S — CID 123730167

IUPAC1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene
SMILESCCc1cccc(SC(F)(F)F)c1F
InChIInChI=1S/C9H8F4S/c1-2-6-4-3-5-7(8(6)10)14-9(11,12)13/h3-5H,2H2,1H3
InChIKeyIHOJXLMQQLYQMW-UHFFFAOYSA-N
MW224.22 g/mol
LogP4.00
Rot. Bonds2

About 1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene

1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene (PubChem CID 123730167) has the molecular formula C9H8F4S and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene
PubChem CID123730167
Molecular FormulaC9H8F4S
Molecular Weight224.22 g/mol
Exact Mass224.03
IUPAC Name1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene
SMILESCCc1cccc(SC(F)(F)F)c1F
InChIInChI=1S/C9H8F4S/c1-2-6-4-3-5-7(8(6)10)14-9(11,12)13/h3-5H,2H2,1H3
InChIKeyIHOJXLMQQLYQMW-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene
CID 66729762
1-[2,3-bis(trifluoromethylsulfanyl)phenyl]-2-chloro-3-ethylbenzene
CID 123409270
3-[2-methyl-3-(trifluoromethylsulfanyl)phenyl]propanoic acid
CID 135743410
1-[2-ethoxy-3-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640944
1-bromo-3-[(3-bromo-2-fluorophenyl)disulfanyl]-2-fluorobenzene;1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene
CID 161291916
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
1-ethyl-2,3-bis(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene
CID 135743105
1-[2-methylsulfanyl-3-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 166640852
[2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 166641640
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
1-ethylsulfonyl-2-(trifluoromethylsulfanyl)benzene
CID 174902418

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene (CID 123730167) is 1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene is CCc1cccc(SC(F)(F)F)c1F.
What is the InChIKey of 1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene?
The InChIKey is IHOJXLMQQLYQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4S/c1-2-6-4-3-5-7(8(6)10)14-9(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene?
1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene has a molecular weight of 224.22 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 123730167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).