2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene

C10H10BrF3S — CID 146165878

IUPAC2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene
SMILESCCCSc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H10BrF3S/c1-2-5-15-9-4-3-7(6-8(9)11)10(12,13)14/h3-4,6H,2,5H2,1H3
InChIKeyLYHPGMFLJWSUQV-UHFFFAOYSA-N
MW299.15 g/mol
LogP4.97
Rot. Bonds3

About 2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene

2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene (PubChem CID 146165878) has the molecular formula C10H10BrF3S and a molecular weight of 299.15 g/mol. Its IUPAC name is 2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene
PubChem CID146165878
Molecular FormulaC10H10BrF3S
Molecular Weight299.15 g/mol
Exact Mass297.96
IUPAC Name2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene
SMILESCCCSc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H10BrF3S/c1-2-5-15-9-4-3-7(6-8(9)11)10(12,13)14/h3-4,6H,2,5H2,1H3
InChIKeyLYHPGMFLJWSUQV-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 2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene (CID 146165878) is 2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene is CCCSc1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene?
The InChIKey is LYHPGMFLJWSUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3S/c1-2-5-15-9-4-3-7(6-8(9)11)10(12,13)14/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene?
2-bromo-1-propylsulfanyl-4-(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 2-bromo-1-propylsulfanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 146165878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).