1-bromo-4-(difluoromethylsulfanyl)naphthalene

C11H7BrF2S — CID 162538868

IUPAC1-bromo-4-(difluoromethylsulfanyl)naphthalene
SMILESFC(F)Sc1ccc(Br)c2ccccc12
InChIInChI=1S/C11H7BrF2S/c12-9-5-6-10(15-11(13)14)8-4-2-1-3-7(8)9/h1-6,11H
InChIKeyQZTZAPLUZDYRGU-UHFFFAOYSA-N
MW289.14 g/mol
LogP4.92
Rot. Bonds2

About 1-bromo-4-(difluoromethylsulfanyl)naphthalene

1-bromo-4-(difluoromethylsulfanyl)naphthalene (PubChem CID 162538868) has the molecular formula C11H7BrF2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 1-bromo-4-(difluoromethylsulfanyl)naphthalene.

Molecular Properties

Compound Name1-bromo-4-(difluoromethylsulfanyl)naphthalene
PubChem CID162538868
Molecular FormulaC11H7BrF2S
Molecular Weight289.14 g/mol
Exact Mass287.94
IUPAC Name1-bromo-4-(difluoromethylsulfanyl)naphthalene
SMILESFC(F)Sc1ccc(Br)c2ccccc12
InChIInChI=1S/C11H7BrF2S/c12-9-5-6-10(15-11(13)14)8-4-2-1-3-7(8)9/h1-6,11H
InChIKeyQZTZAPLUZDYRGU-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(difluoromethylsulfanyl)naphthalene?
The IUPAC name of 1-bromo-4-(difluoromethylsulfanyl)naphthalene (CID 162538868) is 1-bromo-4-(difluoromethylsulfanyl)naphthalene.
What is the SMILES notation for 1-bromo-4-(difluoromethylsulfanyl)naphthalene?
The canonical SMILES for 1-bromo-4-(difluoromethylsulfanyl)naphthalene is FC(F)Sc1ccc(Br)c2ccccc12.
What is the InChIKey of 1-bromo-4-(difluoromethylsulfanyl)naphthalene?
The InChIKey is QZTZAPLUZDYRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2S/c12-9-5-6-10(15-11(13)14)8-4-2-1-3-7(8)9/h1-6,11H.
What are the key properties of 1-bromo-4-(difluoromethylsulfanyl)naphthalene?
1-bromo-4-(difluoromethylsulfanyl)naphthalene has a molecular weight of 289.14 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(difluoromethylsulfanyl)naphthalene is sourced from PubChem (CID 162538868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).