4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene

C13H9BrF2S — CID 55027326

IUPAC4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
SMILESFc1ccc(SCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H9BrF2S/c14-10-2-1-9(13(16)7-10)8-17-12-5-3-11(15)4-6-12/h1-7H,8H2
InChIKeyDXPGSYFINIOOPW-UHFFFAOYSA-N
MW315.18 g/mol
LogP5.02
Rot. Bonds3

About 4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene

4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene (PubChem CID 55027326) has the molecular formula C13H9BrF2S and a molecular weight of 315.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
PubChem CID55027326
Molecular FormulaC13H9BrF2S
Molecular Weight315.18 g/mol
Exact Mass313.96
IUPAC Name4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
SMILESFc1ccc(SCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H9BrF2S/c14-10-2-1-9(13(16)7-10)8-17-12-5-3-11(15)4-6-12/h1-7H,8H2
InChIKeyDXPGSYFINIOOPW-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.18
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91656407
4-bromo-1-[(4-fluorophenyl)sulfanylmethyl]-2-iodylbenzene
CID 142855141
1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 66070129
4-bromo-1-[(3-chlorophenyl)sulfanylmethyl]-2-fluorobenzene
CID 63458635
1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91658314
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]pyrimidine
CID 47095311
4-bromo-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]aniline
CID 79533025
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]aniline
CID 43438726
3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole
CID 55029322
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]ethanamine
CID 43438727
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene
CID 79435639

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene?
The IUPAC name of 4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene (CID 55027326) is 4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene is Fc1ccc(SCc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene?
The InChIKey is DXPGSYFINIOOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2S/c14-10-2-1-9(13(16)7-10)8-17-12-5-3-11(15)4-6-12/h1-7H,8H2.
What are the key properties of 4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene?
4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene has a molecular weight of 315.18 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene is sourced from PubChem (CID 55027326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).