N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide

C10H14F6N2O2 — CID 1224651

IUPACN-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide
SMILESCCC(NC(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O2/c1-2-8(9(11,12)13,10(14,15)16)17-7(19)18-3-5-20-6-4-18/h2-6H2,1H3,(H,17,19)
InChIKeyJMCADYVYWBIIPK-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.30
Rot. Bonds2

About N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide

N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide (PubChem CID 1224651) has the molecular formula C10H14F6N2O2 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide
PubChem CID1224651
Molecular FormulaC10H14F6N2O2
Molecular Weight308.22 g/mol
Exact Mass308.10
IUPAC NameN-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide
SMILESCCC(NC(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O2/c1-2-8(9(11,12)13,10(14,15)16)17-7(19)18-3-5-20-6-4-18/h2-6H2,1H3,(H,17,19)
InChIKeyJMCADYVYWBIIPK-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butylmorpholine-4-carboxamide
CID 2731524
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-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide
CID 4313899
N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide
CID 71046466
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
(3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135206
(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135216

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide (CID 1224651) is N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide is CCC(NC(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide?
The InChIKey is JMCADYVYWBIIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O2/c1-2-8(9(11,12)13,10(14,15)16)17-7(19)18-3-5-20-6-4-18/h2-6H2,1H3,(H,17,19).
What are the key properties of N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide?
N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide has a molecular weight of 308.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 1224651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).