N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide

C9H15F3N2O2 — CID 104854737

IUPACN-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)N1CCOCC1
InChIInChI=1S/C9H15F3N2O2/c1-7(6-9(10,11)12)13-8(15)14-2-4-16-5-3-14/h7H,2-6H2,1H3,(H,13,15)
InChIKeyXGRCAYQZAOWGME-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.37
Rot. Bonds2

About N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide

N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide (PubChem CID 104854737) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide
PubChem CID104854737
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)N1CCOCC1
InChIInChI=1S/C9H15F3N2O2/c1-7(6-9(10,11)12)13-8(15)14-2-4-16-5-3-14/h7H,2-6H2,1H3,(H,13,15)
InChIKeyXGRCAYQZAOWGME-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.37
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-(3-ethoxypropyl)morpholine-4-carboxamide
CID 2180707
N-(pentan-2-yl)morpholine-4-carboxamide
CID 3137306
N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide
CID 1224651
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide
CID 4313899
N-(pentan-3-yl)morpholine-4-carboxamide
CID 787327
N-(1-methoxypropan-2-yl)morpholine-4-carboxamide
CID 2904482
N-(1,1,1,3,3,3-hexafluoro-2-morpholin-4-ylpropan-2-yl)acetamide
CID 3291614
(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide
CID 126793875
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide
CID 5154894
N-[(3S)-3-amino-4-fluorobutyl]morpholine-4-carboxamide
CID 68244754

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide (CID 104854737) is N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide is CC(CC(F)(F)F)NC(=O)N1CCOCC1.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide?
The InChIKey is XGRCAYQZAOWGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-7(6-9(10,11)12)13-8(15)14-2-4-16-5-3-14/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide?
N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 104854737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).