3-fluorophenoxathiine

C12H7FOS — CID 18687752

IUPAC3-fluorophenoxathiine
SMILESFc1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C12H7FOS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7H
InChIKeyCUKQYCCSGWUSNV-UHFFFAOYSA-N
MW218.25 g/mol
LogP4.08
Rot. Bonds

About 3-fluorophenoxathiine

3-fluorophenoxathiine (PubChem CID 18687752) has the molecular formula C12H7FOS and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-fluorophenoxathiine.

Molecular Properties

Compound Name3-fluorophenoxathiine
PubChem CID18687752
Molecular FormulaC12H7FOS
Molecular Weight218.25 g/mol
Exact Mass218.02
IUPAC Name3-fluorophenoxathiine
SMILESFc1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C12H7FOS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7H
InChIKeyCUKQYCCSGWUSNV-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenoxathiin
CID 9217
Phenoxathiin, 10,10-dioxide
CID 70369
1-Iodo-phenoxathiine 10,10-dioxide
CID 10594538
2,8-Dimethylphenoxathiin
CID 186060
2,3-Dihydro-1,4-benzoxathiine
CID 12222838
1,1,1-Trifluoro-3-(2-phenoxyphenyl)sulfanylpropan-2-one
CID 76331156
2-Chlorophenoxathiin
CID 139114
4-Phenoxathiinylboronic Acid
CID 2734376
1-Phenylsulfanyl-4-prop-2-enoxybenzene
CID 10562151
2-Methylphenoxathiin
CID 138662
3-Chlorophenoxathiine
CID 458319
Phenoxathiin-2-ol
CID 10846384

Frequently Asked Questions

What is the IUPAC name of 3-fluorophenoxathiine?
The IUPAC name of 3-fluorophenoxathiine (CID 18687752) is 3-fluorophenoxathiine.
What is the SMILES notation for 3-fluorophenoxathiine?
The canonical SMILES for 3-fluorophenoxathiine is Fc1ccc2c(c1)Oc1ccccc1S2.
What is the InChIKey of 3-fluorophenoxathiine?
The InChIKey is CUKQYCCSGWUSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FOS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7H.
What are the key properties of 3-fluorophenoxathiine?
3-fluorophenoxathiine has a molecular weight of 218.25 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorophenoxathiine is sourced from PubChem (CID 18687752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).