3-(2-bromo-4-fluorophenyl)sulfanyloxetane

C9H8BrFOS — CID 162523954

IUPAC3-(2-bromo-4-fluorophenyl)sulfanyloxetane
SMILESFc1ccc(SC2COC2)c(Br)c1
InChIInChI=1S/C9H8BrFOS/c10-8-3-6(11)1-2-9(8)13-7-4-12-5-7/h1-3,7H,4-5H2
InChIKeyYFYLYOJLDSJEBA-UHFFFAOYSA-N
MW263.13 g/mol
LogP3.08
Rot. Bonds2

About 3-(2-bromo-4-fluorophenyl)sulfanyloxetane

3-(2-bromo-4-fluorophenyl)sulfanyloxetane (PubChem CID 162523954) has the molecular formula C9H8BrFOS and a molecular weight of 263.13 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)sulfanyloxetane.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)sulfanyloxetane
PubChem CID162523954
Molecular FormulaC9H8BrFOS
Molecular Weight263.13 g/mol
Exact Mass261.95
IUPAC Name3-(2-bromo-4-fluorophenyl)sulfanyloxetane
SMILESFc1ccc(SC2COC2)c(Br)c1
InChIInChI=1S/C9H8BrFOS/c10-8-3-6(11)1-2-9(8)13-7-4-12-5-7/h1-3,7H,4-5H2
InChIKeyYFYLYOJLDSJEBA-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene
CID 84706062
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5-fluoro-2-(oxetan-3-ylsulfanyl)aniline
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(1S)-1-[5-fluoro-2-(oxetan-3-ylsulfanyl)phenyl]ethanol
CID 79332166
3-bromo-N'-hydroxy-4-(oxetan-3-ylsulfanyl)benzenecarboximidamide
CID 82799691
[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol
CID 63835816
2-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]acetonitrile
CID 84788971
3-fluoro-4-(oxetan-3-ylsulfanyl)benzaldehyde
CID 79333448
[4-bromo-2-(oxetan-3-ylsulfanyl)phenyl]methanamine
CID 79332860
2,4-difluoro-6-(oxetan-3-ylsulfanyl)aniline
CID 115507652
1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114865010
4-bromo-2-(oxetan-3-ylsulfanyl)benzaldehyde
CID 79332617

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)sulfanyloxetane?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)sulfanyloxetane (CID 162523954) is 3-(2-bromo-4-fluorophenyl)sulfanyloxetane.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)sulfanyloxetane?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)sulfanyloxetane is Fc1ccc(SC2COC2)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)sulfanyloxetane?
The InChIKey is YFYLYOJLDSJEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFOS/c10-8-3-6(11)1-2-9(8)13-7-4-12-5-7/h1-3,7H,4-5H2.
What are the key properties of 3-(2-bromo-4-fluorophenyl)sulfanyloxetane?
3-(2-bromo-4-fluorophenyl)sulfanyloxetane has a molecular weight of 263.13 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)sulfanyloxetane is sourced from PubChem (CID 162523954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).