1-bromo-3-fluorobenzene;sulfane

C6H6BrFS — CID 174932611

IUPAC1-bromo-3-fluorobenzene;sulfane
SMILESFc1cccc(Br)c1.S
InChIInChI=1S/C6H4BrF.H2S/c7-5-2-1-3-6(8)4-5;/h1-4H;1H2
InChIKeyQIPCIYZXKQOBIH-UHFFFAOYSA-N
MW209.08 g/mol
LogP2.70
Rot. Bonds

About 1-bromo-3-fluorobenzene;sulfane

1-bromo-3-fluorobenzene;sulfane (PubChem CID 174932611) has the molecular formula C6H6BrFS and a molecular weight of 209.08 g/mol. Its IUPAC name is 1-bromo-3-fluorobenzene;sulfane.

Molecular Properties

Compound Name1-bromo-3-fluorobenzene;sulfane
PubChem CID174932611
Molecular FormulaC6H6BrFS
Molecular Weight209.08 g/mol
Exact Mass207.94
IUPAC Name1-bromo-3-fluorobenzene;sulfane
SMILESFc1cccc(Br)c1.S
InChIInChI=1S/C6H4BrF.H2S/c7-5-2-1-3-6(8)4-5;/h1-4H;1H2
InChIKeyQIPCIYZXKQOBIH-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-bromo-3-fluorobenzene;methoxycyclopentane
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CID 10948752
1,3-difluorobenzene;methanol
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(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
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N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluorobenzene;sulfane?
The IUPAC name of 1-bromo-3-fluorobenzene;sulfane (CID 174932611) is 1-bromo-3-fluorobenzene;sulfane.
What is the SMILES notation for 1-bromo-3-fluorobenzene;sulfane?
The canonical SMILES for 1-bromo-3-fluorobenzene;sulfane is Fc1cccc(Br)c1.S.
What is the InChIKey of 1-bromo-3-fluorobenzene;sulfane?
The InChIKey is QIPCIYZXKQOBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF.H2S/c7-5-2-1-3-6(8)4-5;/h1-4H;1H2.
What are the key properties of 1-bromo-3-fluorobenzene;sulfane?
1-bromo-3-fluorobenzene;sulfane has a molecular weight of 209.08 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluorobenzene;sulfane is sourced from PubChem (CID 174932611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).