2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine

C10H3F16NO2 — CID 121361184

IUPAC2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESCOC(F)(F)/C(F)=C(\F)N1C(F)(F)C(F)(C(F)(F)F)OC(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10H3F16NO2/c1-28-4(13,14)2(11)3(12)27-9(23,24)5(15,7(17,18)19)29-6(16,8(20,21)22)10(27,25)26/h1H3/b3-2-
InChIKeyKIUMRFMAJHNQFR-IHWYPQMZSA-N
MW473.11 g/mol
LogP5.31
Rot. Bonds3

About 2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine

2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine (PubChem CID 121361184) has the molecular formula C10H3F16NO2 and a molecular weight of 473.11 g/mol. Its IUPAC name is 2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
PubChem CID121361184
Molecular FormulaC10H3F16NO2
Molecular Weight473.11 g/mol
Exact Mass472.99
IUPAC Name2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESCOC(F)(F)/C(F)=C(\F)N1C(F)(F)C(F)(C(F)(F)F)OC(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10H3F16NO2/c1-28-4(13,14)2(11)3(12)27-9(23,24)5(15,7(17,18)19)29-6(16,8(20,21)22)10(27,25)26/h1H3/b3-2-
InChIKeyKIUMRFMAJHNQFR-IHWYPQMZSA-N
XLogP5.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.11
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)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 2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine (CID 121361184) is 2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine is COC(F)(F)/C(F)=C(\F)N1C(F)(F)C(F)(C(F)(F)F)OC(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is KIUMRFMAJHNQFR-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H3F16NO2/c1-28-4(13,14)2(11)3(12)27-9(23,24)5(15,7(17,18)19)29-6(16,8(20,21)22)10(27,25)26/h1H3/b3-2-.
What are the key properties of 2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 473.11 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5,5,6-hexafluoro-4-[(E)-1,2,3,3-tetrafluoro-3-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 121361184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).