N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide

C9H12F6N2O2 — CID 3291614

IUPACN-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide
SMILESCC(=O)NC(N1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6N2O2/c1-6(18)16-7(8(10,11)12,9(13,14)15)17-2-4-19-5-3-17/h2-5H2,1H3,(H,16,18)
InChIKeySVHCRIAIOFDDQM-UHFFFAOYSA-N
MW294.20 g/mol
LogP1.28
Rot. Bonds2

About N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide

N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide (PubChem CID 3291614) 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-morpholin-4-ylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide
PubChem CID3291614
Molecular FormulaC9H12F6N2O2
Molecular Weight294.20 g/mol
Exact Mass294.08
IUPAC NameN-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide
SMILESCC(=O)NC(N1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6N2O2/c1-6(18)16-7(8(10,11)12,9(13,14)15)17-2-4-19-5-3-17/h2-5H2,1H3,(H,16,18)
InChIKeySVHCRIAIOFDDQM-UHFFFAOYSA-N
XLogP1.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-acetamido-3,3,3-trifluoro-2-morpholinopropionate
CID 540218
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-hexafluoropropan-2-yl)morpholine-4-carboxamide
CID 5154894
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide
CID 4313899
N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide
CID 123355708
(3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135163
(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135216
ethyl (2S)-2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate
CID 1885181
ethyl (2R)-2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate
CID 1885183
(2-Acetamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-(2-methoxyethyl)azanium
CID 1906735
N-(1,1,1,3,3,3-hexafluoro-2-((2-methoxyethyl)amino)propan-2-yl)acetamide
CID 1906736

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide (CID 3291614) is N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide is CC(=O)NC(N1CCOCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide?
The InChIKey is SVHCRIAIOFDDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N2O2/c1-6(18)16-7(8(10,11)12,9(13,14)15)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-morpholin-4-ylpropan-2-yl)acetamide?
N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide has a molecular weight of 294.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide is sourced from PubChem (CID 3291614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).