4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine

C15H21F2NO3S — CID 84594245

IUPAC4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine
SMILESFC(F)SCc1ccc(CN2CCOC(C3CCCO3)C2)o1
InChIInChI=1S/C15H21F2NO3S/c16-15(17)22-10-12-4-3-11(21-12)8-18-5-7-20-14(9-18)13-2-1-6-19-13/h3-4,13-15H,1-2,5-10H2
InChIKeyWRLXGRCNBDGAAY-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.12
Rot. Bonds6

About 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine

4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine (PubChem CID 84594245) has the molecular formula C15H21F2NO3S and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine.

Molecular Properties

Compound Name4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine
PubChem CID84594245
Molecular FormulaC15H21F2NO3S
Molecular Weight333.40 g/mol
Exact Mass333.12
IUPAC Name4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine
SMILESFC(F)SCc1ccc(CN2CCOC(C3CCCO3)C2)o1
InChIInChI=1S/C15H21F2NO3S/c16-15(17)22-10-12-4-3-11(21-12)8-18-5-7-20-14(9-18)13-2-1-6-19-13/h3-4,13-15H,1-2,5-10H2
InChIKeyWRLXGRCNBDGAAY-UHFFFAOYSA-N
XLogP3.12
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine?
The IUPAC name of 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine (CID 84594245) is 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine.
What is the SMILES notation for 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine?
The canonical SMILES for 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine is FC(F)SCc1ccc(CN2CCOC(C3CCCO3)C2)o1.
What is the InChIKey of 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine?
The InChIKey is WRLXGRCNBDGAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3S/c16-15(17)22-10-12-4-3-11(21-12)8-18-5-7-20-14(9-18)13-2-1-6-19-13/h3-4,13-15H,1-2,5-10H2.
What are the key properties of 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine?
4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine has a molecular weight of 333.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine is sourced from PubChem (CID 84594245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).