6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine

C6H9FOS — CID 90206326

IUPAC6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine
SMILESCC1=C(CF)OCCS1
InChIInChI=1S/C6H9FOS/c1-5-6(4-7)8-2-3-9-5/h2-4H2,1H3
InChIKeyGNACBHRPYLEXGL-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.95
Rot. Bonds1

About 6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine

6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine (PubChem CID 90206326) has the molecular formula C6H9FOS and a molecular weight of 148.20 g/mol. Its IUPAC name is 6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Name6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine
PubChem CID90206326
Molecular FormulaC6H9FOS
Molecular Weight148.20 g/mol
Exact Mass148.04
IUPAC Name6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine
SMILESCC1=C(CF)OCCS1
InChIInChI=1S/C6H9FOS/c1-5-6(4-7)8-2-3-9-5/h2-4H2,1H3
InChIKeyGNACBHRPYLEXGL-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine?
The IUPAC name of 6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine (CID 90206326) is 6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for 6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for 6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine is CC1=C(CF)OCCS1.
What is the InChIKey of 6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine?
The InChIKey is GNACBHRPYLEXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FOS/c1-5-6(4-7)8-2-3-9-5/h2-4H2,1H3.
What are the key properties of 6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine?
6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine has a molecular weight of 148.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 90206326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).