1-bromo-4-(trifluoromethylsulfanyl)naphthalene

C11H6BrF3S — CID 162538885

IUPAC1-bromo-4-(trifluoromethylsulfanyl)naphthalene
SMILESFC(F)(F)Sc1ccc(Br)c2ccccc12
InChIInChI=1S/C11H6BrF3S/c12-9-5-6-10(16-11(13,14)15)8-4-2-1-3-7(8)9/h1-6H
InChIKeySARWXPNWWWQMIR-UHFFFAOYSA-N
MW307.13 g/mol
LogP5.21
Rot. Bonds1

About 1-bromo-4-(trifluoromethylsulfanyl)naphthalene

1-bromo-4-(trifluoromethylsulfanyl)naphthalene (PubChem CID 162538885) has the molecular formula C11H6BrF3S and a molecular weight of 307.13 g/mol. Its IUPAC name is 1-bromo-4-(trifluoromethylsulfanyl)naphthalene.

Molecular Properties

Compound Name1-bromo-4-(trifluoromethylsulfanyl)naphthalene
PubChem CID162538885
Molecular FormulaC11H6BrF3S
Molecular Weight307.13 g/mol
Exact Mass305.93
IUPAC Name1-bromo-4-(trifluoromethylsulfanyl)naphthalene
SMILESFC(F)(F)Sc1ccc(Br)c2ccccc12
InChIInChI=1S/C11H6BrF3S/c12-9-5-6-10(16-11(13,14)15)8-4-2-1-3-7(8)9/h1-6H
InChIKeySARWXPNWWWQMIR-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.13
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(trifluoromethylsulfanyl)naphthalene?
The IUPAC name of 1-bromo-4-(trifluoromethylsulfanyl)naphthalene (CID 162538885) is 1-bromo-4-(trifluoromethylsulfanyl)naphthalene.
What is the SMILES notation for 1-bromo-4-(trifluoromethylsulfanyl)naphthalene?
The canonical SMILES for 1-bromo-4-(trifluoromethylsulfanyl)naphthalene is FC(F)(F)Sc1ccc(Br)c2ccccc12.
What is the InChIKey of 1-bromo-4-(trifluoromethylsulfanyl)naphthalene?
The InChIKey is SARWXPNWWWQMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3S/c12-9-5-6-10(16-11(13,14)15)8-4-2-1-3-7(8)9/h1-6H.
What are the key properties of 1-bromo-4-(trifluoromethylsulfanyl)naphthalene?
1-bromo-4-(trifluoromethylsulfanyl)naphthalene has a molecular weight of 307.13 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(trifluoromethylsulfanyl)naphthalene is sourced from PubChem (CID 162538885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).