4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene

C10H10BrF3OS — CID 58730462

IUPAC4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene
SMILESCC(C)Sc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C10H10BrF3OS/c1-6(2)16-9-4-3-7(11)5-8(9)15-10(12,13)14/h3-6H,1-2H3
InChIKeyOFAJKEBGNVSYPJ-UHFFFAOYSA-N
MW315.15 g/mol
LogP4.85
Rot. Bonds3

About 4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene

4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene (PubChem CID 58730462) has the molecular formula C10H10BrF3OS and a molecular weight of 315.15 g/mol. Its IUPAC name is 4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene
PubChem CID58730462
Molecular FormulaC10H10BrF3OS
Molecular Weight315.15 g/mol
Exact Mass313.96
IUPAC Name4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene
SMILESCC(C)Sc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C10H10BrF3OS/c1-6(2)16-9-4-3-7(11)5-8(9)15-10(12,13)14/h3-6H,1-2H3
InChIKeyOFAJKEBGNVSYPJ-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene (CID 58730462) is 4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene is CC(C)Sc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene?
The InChIKey is OFAJKEBGNVSYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3OS/c1-6(2)16-9-4-3-7(11)5-8(9)15-10(12,13)14/h3-6H,1-2H3.
What are the key properties of 4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene?
4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene has a molecular weight of 315.15 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-ylsulfanyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 58730462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).