4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine

C11H16F5N3O — CID 135169582

IUPAC4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine
SMILESFC(F)=C(N1CCOCC1)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C11H16F5N3O/c12-9(13)10(18-5-7-20-8-6-18)17-1-3-19(4-2-17)11(14,15)16/h1-8H2
InChIKeyTYLNNSAESRVINY-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.52
Rot. Bonds2

About 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine

4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine (PubChem CID 135169582) has the molecular formula C11H16F5N3O and a molecular weight of 301.26 g/mol. Its IUPAC name is 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine.

Molecular Properties

Compound Name4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine
PubChem CID135169582
Molecular FormulaC11H16F5N3O
Molecular Weight301.26 g/mol
Exact Mass301.12
IUPAC Name4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine
SMILESFC(F)=C(N1CCOCC1)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C11H16F5N3O/c12-9(13)10(18-5-7-20-8-6-18)17-1-3-19(4-2-17)11(14,15)16/h1-8H2
InChIKeyTYLNNSAESRVINY-UHFFFAOYSA-N
XLogP1.52
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine?
The IUPAC name of 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine (CID 135169582) is 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine.
What is the SMILES notation for 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine?
The canonical SMILES for 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine is FC(F)=C(N1CCOCC1)N1CCN(C(F)(F)F)CC1.
What is the InChIKey of 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine?
The InChIKey is TYLNNSAESRVINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5N3O/c12-9(13)10(18-5-7-20-8-6-18)17-1-3-19(4-2-17)11(14,15)16/h1-8H2.
What are the key properties of 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine?
4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine has a molecular weight of 301.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine is sourced from PubChem (CID 135169582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).