4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine

C11H17F2N3OS — CID 75435201

IUPAC4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine
SMILESFC(F)n1ccnc1CSCCN1CCOCC1
InChIInChI=1S/C11H17F2N3OS/c12-11(13)16-2-1-14-10(16)9-18-8-5-15-3-6-17-7-4-15/h1-2,11H,3-9H2
InChIKeyJZHCBYQFYPUSHU-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.84
Rot. Bonds6

About 4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine

4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine (PubChem CID 75435201) has the molecular formula C11H17F2N3OS and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine
PubChem CID75435201
Molecular FormulaC11H17F2N3OS
Molecular Weight277.34 g/mol
Exact Mass277.11
IUPAC Name4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine
SMILESFC(F)n1ccnc1CSCCN1CCOCC1
InChIInChI=1S/C11H17F2N3OS/c12-11(13)16-2-1-14-10(16)9-18-8-5-15-3-6-17-7-4-15/h1-2,11H,3-9H2
InChIKeyJZHCBYQFYPUSHU-UHFFFAOYSA-N
XLogP1.84
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine (CID 75435201) is 4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine is FC(F)n1ccnc1CSCCN1CCOCC1.
What is the InChIKey of 4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine?
The InChIKey is JZHCBYQFYPUSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3OS/c12-11(13)16-2-1-14-10(16)9-18-8-5-15-3-6-17-7-4-15/h1-2,11H,3-9H2.
What are the key properties of 4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine?
4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine has a molecular weight of 277.34 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]ethyl]morpholine is sourced from PubChem (CID 75435201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).