1-fluorophenoxathiine

C12H7FOS — CID 57127616

IUPAC1-fluorophenoxathiine
SMILESFc1cccc2c1Sc1ccccc1O2
InChIInChI=1S/C12H7FOS/c13-8-4-3-6-10-12(8)15-11-7-2-1-5-9(11)14-10/h1-7H
InChIKeyKEFLVPQFYPUNRO-UHFFFAOYSA-N
MW218.25 g/mol
LogP4.08
Rot. Bonds

About 1-fluorophenoxathiine

1-fluorophenoxathiine (PubChem CID 57127616) has the molecular formula C12H7FOS and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-fluorophenoxathiine.

Molecular Properties

Compound Name1-fluorophenoxathiine
PubChem CID57127616
Molecular FormulaC12H7FOS
Molecular Weight218.25 g/mol
Exact Mass218.02
IUPAC Name1-fluorophenoxathiine
SMILESFc1cccc2c1Sc1ccccc1O2
InChIInChI=1S/C12H7FOS/c13-8-4-3-6-10-12(8)15-11-7-2-1-5-9(11)14-10/h1-7H
InChIKeyKEFLVPQFYPUNRO-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 1-fluorophenoxathiine?
The IUPAC name of 1-fluorophenoxathiine (CID 57127616) is 1-fluorophenoxathiine.
What is the SMILES notation for 1-fluorophenoxathiine?
The canonical SMILES for 1-fluorophenoxathiine is Fc1cccc2c1Sc1ccccc1O2.
What is the InChIKey of 1-fluorophenoxathiine?
The InChIKey is KEFLVPQFYPUNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FOS/c13-8-4-3-6-10-12(8)15-11-7-2-1-5-9(11)14-10/h1-7H.
What are the key properties of 1-fluorophenoxathiine?
1-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 1-fluorophenoxathiine is sourced from PubChem (CID 57127616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).