2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine

C6F13NO — CID 142664628

IUPAC2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine
SMILESFC(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C6F13NO/c7-1(2(8,9)10)4(13,14)21-5(15,16)3(11,12)20(1)6(17,18)19
InChIKeyQYEHDOQBMZPWFU-UHFFFAOYSA-N
MW349.05 g/mol
LogP3.84
Rot. Bonds

About 2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine

2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine (PubChem CID 142664628) has the molecular formula C6F13NO and a molecular weight of 349.05 g/mol. Its IUPAC name is 2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine
PubChem CID142664628
Molecular FormulaC6F13NO
Molecular Weight349.05 g/mol
Exact Mass348.98
IUPAC Name2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine
SMILESFC(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C6F13NO/c7-1(2(8,9)10)4(13,14)21-5(15,16)3(11,12)20(1)6(17,18)19
InChIKeyQYEHDOQBMZPWFU-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.05
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine?
The IUPAC name of 2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine (CID 142664628) is 2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine?
The canonical SMILES for 2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine is FC(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine?
The InChIKey is QYEHDOQBMZPWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F13NO/c7-1(2(8,9)10)4(13,14)21-5(15,16)3(11,12)20(1)6(17,18)19.
What are the key properties of 2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine?
2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine has a molecular weight of 349.05 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 142664628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).