5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione

C11H9F4NOS — CID 88593632

IUPAC5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione
SMILESFc1cccc(C2(C(F)F)COCC(=S)N2)c1F
InChIInChI=1S/C11H9F4NOS/c12-7-3-1-2-6(9(7)13)11(10(14)15)5-17-4-8(18)16-11/h1-3,10H,4-5H2,(H,16,18)
InChIKeyTYTRVRIXGYFEOT-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.37
Rot. Bonds2

About 5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione

5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione (PubChem CID 88593632) has the molecular formula C11H9F4NOS and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione.

Molecular Properties

Compound Name5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione
PubChem CID88593632
Molecular FormulaC11H9F4NOS
Molecular Weight279.26 g/mol
Exact Mass279.03
IUPAC Name5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione
SMILESFc1cccc(C2(C(F)F)COCC(=S)N2)c1F
InChIInChI=1S/C11H9F4NOS/c12-7-3-1-2-6(9(7)13)11(10(14)15)5-17-4-8(18)16-11/h1-3,10H,4-5H2,(H,16,18)
InChIKeyTYTRVRIXGYFEOT-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione?
The IUPAC name of 5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione (CID 88593632) is 5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione.
What is the SMILES notation for 5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione?
The canonical SMILES for 5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione is Fc1cccc(C2(C(F)F)COCC(=S)N2)c1F.
What is the InChIKey of 5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione?
The InChIKey is TYTRVRIXGYFEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NOS/c12-7-3-1-2-6(9(7)13)11(10(14)15)5-17-4-8(18)16-11/h1-3,10H,4-5H2,(H,16,18).
What are the key properties of 5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione?
5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione has a molecular weight of 279.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-5-(2,3-difluorophenyl)morpholine-3-thione is sourced from PubChem (CID 88593632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).