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

C10H3F16NO2 — CID 118663132

IUPAC2,3,3,5,5,6-hexafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESCO/C(=C(\F)N1C(F)(F)C(F)(C(F)(F)F)OC(F)(C(F)(F)F)C1(F)F)C(F)(F)F
InChIInChI=1S/C10H3F16NO2/c1-28-2(4(12,13)14)3(11)27-9(23,24)5(15,7(17,18)19)29-6(16,8(20,21)22)10(27,25)26/h1H3/b3-2+
InChIKeyNDDKCCAWWSNBBM-NSCUHMNNSA-N
MW473.11 g/mol
LogP5.31
Rot. Bonds2

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

2,3,3,5,5,6-hexafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine (PubChem CID 118663132) 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-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name2,3,3,5,5,6-hexafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
PubChem CID118663132
Molecular FormulaC10H3F16NO2
Molecular Weight473.11 g/mol
Exact Mass472.99
IUPAC Name2,3,3,5,5,6-hexafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESCO/C(=C(\F)N1C(F)(F)C(F)(C(F)(F)F)OC(F)(C(F)(F)F)C1(F)F)C(F)(F)F
InChIInChI=1S/C10H3F16NO2/c1-28-2(4(12,13)14)3(11)27-9(23,24)5(15,7(17,18)19)29-6(16,8(20,21)22)10(27,25)26/h1H3/b3-2+
InChIKeyNDDKCCAWWSNBBM-NSCUHMNNSA-N
XLogP5.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,5,5,6-hexafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 2,3,3,5,5,6-hexafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine (CID 118663132) is 2,3,3,5,5,6-hexafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 2,3,3,5,5,6-hexafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 2,3,3,5,5,6-hexafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine is CO/C(=C(\F)N1C(F)(F)C(F)(C(F)(F)F)OC(F)(C(F)(F)F)C1(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,5,5,6-hexafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is NDDKCCAWWSNBBM-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H3F16NO2/c1-28-2(4(12,13)14)3(11)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-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
2,3,3,5,5,6-hexafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 473.11 g/mol, XLogP of 5.31, 2 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-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 118663132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).