N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide

C8H10F6N2O2 — CID 5154894

IUPACN-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide
SMILESO=C(NC(C(F)(F)F)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H10F6N2O2/c9-7(10,11)5(8(12,13)14)15-6(17)16-1-3-18-4-2-16/h5H,1-4H2,(H,15,17)
InChIKeyIOPUACZRBUZLFD-UHFFFAOYSA-N
MW280.17 g/mol
LogP1.52
Rot. Bonds1

About N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide (PubChem CID 5154894) has the molecular formula C8H10F6N2O2 and a molecular weight of 280.17 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide
PubChem CID5154894
Molecular FormulaC8H10F6N2O2
Molecular Weight280.17 g/mol
Exact Mass280.06
IUPAC NameN-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide
SMILESO=C(NC(C(F)(F)F)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H10F6N2O2/c9-7(10,11)5(8(12,13)14)15-6(17)16-1-3-18-4-2-16/h5H,1-4H2,(H,15,17)
InChIKeyIOPUACZRBUZLFD-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 660111
N~4~-[1,1-Bis(trifluoromethyl)propyl]-4-morpholinecarboxamide
CID 1224651
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide
CID 4313899
N-(1-methoxypropan-2-yl)morpholine-4-carboxamide
CID 2904482
2,2,2-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide
CID 1729730
N-[1,1,1,3,3,3-hexafluoro-2-(morpholin-4-yl)propan-2-yl]acetamide
CID 3291614
N-[(3S)-3-amino-4-fluorobutyl]morpholine-4-carboxamide
CID 68244754
N-(trifluoromethyl)morpholine-4-carboxamide
CID 108865858
N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide
CID 123355708
3-(Trifluoromethyl)morpholine-4-carboxamide
CID 155634360
ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555235
N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555236

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide (CID 5154894) is N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide is O=C(NC(C(F)(F)F)C(F)(F)F)N1CCOCC1.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide?
The InChIKey is IOPUACZRBUZLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O2/c9-7(10,11)5(8(12,13)14)15-6(17)16-1-3-18-4-2-16/h5H,1-4H2,(H,15,17).
What are the key properties of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide?
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide has a molecular weight of 280.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 5154894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).