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

C9H12F6N2O2 — CID 4313899

IUPACN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6N2O2/c1-7(8(10,11)12,9(13,14)15)16-6(18)17-2-4-19-5-3-17/h2-5H2,1H3,(H,16,18)
InChIKeyLEIBUKLQQBSZGQ-UHFFFAOYSA-N
MW294.20 g/mol
LogP1.91
Rot. Bonds1

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

N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide (PubChem CID 4313899) has the molecular formula C9H12F6N2O2 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide
PubChem CID4313899
Molecular FormulaC9H12F6N2O2
Molecular Weight294.20 g/mol
Exact Mass294.08
IUPAC NameN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6N2O2/c1-7(8(10,11)12,9(13,14)15)16-6(18)17-2-4-19-5-3-17/h2-5H2,1H3,(H,16,18)
InChIKeyLEIBUKLQQBSZGQ-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butylmorpholine-4-carboxamide
CID 2731524
N~4~-[1,1-Bis(trifluoromethyl)propyl]-4-morpholinecarboxamide
CID 1224651
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-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide
CID 5154894
N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide
CID 71046466
N-(trifluoromethyl)morpholine-4-carboxamide
CID 108865858
N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide
CID 123355708
ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555235
N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555236
(3R)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135162
(3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135163

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide (CID 4313899) is N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide is CC(NC(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide?
The InChIKey is LEIBUKLQQBSZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N2O2/c1-7(8(10,11)12,9(13,14)15)16-6(18)17-2-4-19-5-3-17/h2-5H2,1H3,(H,16,18).
What are the key properties of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide?
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide has a molecular weight of 294.20 g/mol, XLogP of 1.91, 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-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 4313899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).