5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine

C12H15F2NOS — CID 66243086

IUPAC5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine
SMILESCC1CNC(c2ccc(OC(F)F)cc2)CS1
InChIInChI=1S/C12H15F2NOS/c1-8-6-15-11(7-17-8)9-2-4-10(5-3-9)16-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3
InChIKeyQYMYTQYJZKZEIZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.05
Rot. Bonds3

About 5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine

5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine (PubChem CID 66243086) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine
PubChem CID66243086
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine
SMILESCC1CNC(c2ccc(OC(F)F)cc2)CS1
InChIInChI=1S/C12H15F2NOS/c1-8-6-15-11(7-17-8)9-2-4-10(5-3-9)16-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3
InChIKeyQYMYTQYJZKZEIZ-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine (CID 66243086) is 5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine is CC1CNC(c2ccc(OC(F)F)cc2)CS1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine?
The InChIKey is QYMYTQYJZKZEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-8-6-15-11(7-17-8)9-2-4-10(5-3-9)16-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine?
5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine has a molecular weight of 259.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine is sourced from PubChem (CID 66243086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).