4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine

C14H18F11NO2 — CID 130418403

IUPAC4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine
SMILESCC(OC(C)C(F)(C(F)N1CCOCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C14H18F11NO2/c1-7(28-8(2)12(18,19)9(15)13(20,21)22)11(17,14(23,24)25)10(16)26-3-5-27-6-4-26/h7-10H,3-6H2,1-2H3
InChIKeyHWMGINYTDWMFCV-UHFFFAOYSA-N
MW441.28 g/mol
LogP4.21
Rot. Bonds7

About 4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine

4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine (PubChem CID 130418403) has the molecular formula C14H18F11NO2 and a molecular weight of 441.28 g/mol. Its IUPAC name is 4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine.

Molecular Properties

Compound Name4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine
PubChem CID130418403
Molecular FormulaC14H18F11NO2
Molecular Weight441.28 g/mol
Exact Mass441.12
IUPAC Name4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine
SMILESCC(OC(C)C(F)(C(F)N1CCOCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C14H18F11NO2/c1-7(28-8(2)12(18,19)9(15)13(20,21)22)11(17,14(23,24)25)10(16)26-3-5-27-6-4-26/h7-10H,3-6H2,1-2H3
InChIKeyHWMGINYTDWMFCV-UHFFFAOYSA-N
XLogP4.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.28
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine?
The IUPAC name of 4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine (CID 130418403) is 4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine.
What is the SMILES notation for 4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine?
The canonical SMILES for 4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine is CC(OC(C)C(F)(C(F)N1CCOCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine?
The InChIKey is HWMGINYTDWMFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F11NO2/c1-7(28-8(2)12(18,19)9(15)13(20,21)22)11(17,14(23,24)25)10(16)26-3-5-27-6-4-26/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine?
4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine has a molecular weight of 441.28 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine is sourced from PubChem (CID 130418403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).