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

C10H10BrF3S — CID 146167337

IUPAC1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene
SMILESCCCSc1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C10H10BrF3S/c1-2-6-15-9-7(10(12,13)14)4-3-5-8(9)11/h3-5H,2,6H2,1H3
InChIKeyVNJHHJIPZNTGNL-UHFFFAOYSA-N
MW299.15 g/mol
LogP4.97
Rot. Bonds3

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

1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene (PubChem CID 146167337) has the molecular formula C10H10BrF3S and a molecular weight of 299.15 g/mol. Its IUPAC name is 1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene
PubChem CID146167337
Molecular FormulaC10H10BrF3S
Molecular Weight299.15 g/mol
Exact Mass297.96
IUPAC Name1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene
SMILESCCCSc1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C10H10BrF3S/c1-2-6-15-9-7(10(12,13)14)4-3-5-8(9)11/h3-5H,2,6H2,1H3
InChIKeyVNJHHJIPZNTGNL-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene (CID 146167337) is 1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene is CCCSc1c(Br)cccc1C(F)(F)F.
What is the InChIKey of 1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene?
The InChIKey is VNJHHJIPZNTGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3S/c1-2-6-15-9-7(10(12,13)14)4-3-5-8(9)11/h3-5H,2,6H2,1H3.
What are the key properties of 1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene?
1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene has a molecular weight of 299.15 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 146167337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).