2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene

C9H8BrF3S — CID 91876340

IUPAC2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene
SMILESCCSc1cccc(C(F)(F)F)c1Br
InChIInChI=1S/C9H8BrF3S/c1-2-14-7-5-3-4-6(8(7)10)9(11,12)13/h3-5H,2H2,1H3
InChIKeyVZNCHPUATAFBAC-UHFFFAOYSA-N
MW285.13 g/mol
LogP4.58
Rot. Bonds2

About 2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene

2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene (PubChem CID 91876340) has the molecular formula C9H8BrF3S and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene
PubChem CID91876340
Molecular FormulaC9H8BrF3S
Molecular Weight285.13 g/mol
Exact Mass283.95
IUPAC Name2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene
SMILESCCSc1cccc(C(F)(F)F)c1Br
InChIInChI=1S/C9H8BrF3S/c1-2-14-7-5-3-4-6(8(7)10)9(11,12)13/h3-5H,2H2,1H3
InChIKeyVZNCHPUATAFBAC-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethylsulfanyl-2-(trifluoromethyl)aniline
CID 91876082
2-ethylsulfanyl-4-iodo-1-(trifluoromethyl)benzene
CID 91876022
1-bromo-2-chloro-3-ethylsulfanylbenzene
CID 91875923
1-bromo-3-ethylsulfanyl-2-iodobenzene
CID 91875924
1-ethylsulfanyl-2-fluoro-3-methylbenzene
CID 91876383
[2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 70700248
ethyl 2-bromo-3-(trifluoromethyl)benzoate
CID 46311280
2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene
CID 91876148
1-[2-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 58572634
2-butan-2-yl-1,3-bis(trifluoromethyl)benzene
CID 20823616
2-ethyl-1-ethylsulfanyl-3-iodobenzene
CID 91875986
4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene
CID 91876360

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene?
The IUPAC name of 2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene (CID 91876340) is 2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene is CCSc1cccc(C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene?
The InChIKey is VZNCHPUATAFBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3S/c1-2-14-7-5-3-4-6(8(7)10)9(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene?
2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene has a molecular weight of 285.13 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 91876340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).