2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid

C8H6BrFO2S — CID 79357808

IUPAC2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid
SMILESO=C(O)C(F)Sc1cccc(Br)c1
InChIInChI=1S/C8H6BrFO2S/c9-5-2-1-3-6(4-5)13-7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKeyFKIDUFBKKXBKDX-UHFFFAOYSA-N
MW265.10 g/mol
LogP2.92
Rot. Bonds3

About 2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid

2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid (PubChem CID 79357808) has the molecular formula C8H6BrFO2S and a molecular weight of 265.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid
PubChem CID79357808
Molecular FormulaC8H6BrFO2S
Molecular Weight265.10 g/mol
Exact Mass263.93
IUPAC Name2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid
SMILESO=C(O)C(F)Sc1cccc(Br)c1
InChIInChI=1S/C8H6BrFO2S/c9-5-2-1-3-6(4-5)13-7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKeyFKIDUFBKKXBKDX-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)sulfanyl-2-methylbutanoic acid
CID 79391052
2-[(3-bromophenyl)sulfanylmethyl]-3,3,3-trifluoropropanoic acid
CID 80996615
2-(3-bromophenyl)sulfanylpropanehydrazide
CID 63579968
2-(3-bromophenyl)sulfanyl-6-fluorobenzoic acid
CID 79511060
S-(3-bromophenyl) ethanethioate
CID 71374837
2-(3-bromophenoxy)-2-fluoroacetic acid
CID 79357675
1-bromo-3-hydroxysulfanylbenzene
CID 142318531
2-(3-bromophenyl)sulfanyl-1-(3,4-dimethylphenyl)propan-1-one
CID 63407823
2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid
CID 79357614
1-(3-bromophenyl)sulfanylcyclopropane-1-carboxylic acid
CID 66144703
3-(3-bromophenyl)-2-fluorobutanoic acid
CID 130820150
4-(3-bromophenyl)-2-fluorobutanoic acid
CID 84729589

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid (CID 79357808) is 2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid is O=C(O)C(F)Sc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid?
The InChIKey is FKIDUFBKKXBKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2S/c9-5-2-1-3-6(4-5)13-7(10)8(11)12/h1-4,7H,(H,11,12).
What are the key properties of 2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid?
2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid has a molecular weight of 265.10 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid is sourced from PubChem (CID 79357808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).