ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide

C12H23F3N2O2 — CID 164555235

IUPACethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC.CC(C)CNC(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C10H17F3N2O2.C2H6/c1-7(2)5-14-9(16)15-3-4-17-6-8(15)10(11,12)13;1-2/h7-8H,3-6H2,1-2H3,(H,14,16);1-2H3
InChIKeyYBBNWOFZURJRHS-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.64
Rot. Bonds2

About ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide

ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 164555235) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID164555235
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Nameethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC.CC(C)CNC(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C10H17F3N2O2.C2H6/c1-7(2)5-14-9(16)15-3-4-17-6-8(15)10(11,12)13;1-2/h7-8H,3-6H2,1-2H3,(H,14,16);1-2H3
InChIKeyYBBNWOFZURJRHS-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pentan-2-yl)morpholine-4-carboxamide
CID 3137306
N~4~-[1,1-Bis(trifluoromethyl)propyl]-4-morpholinecarboxamide
CID 1224651
1-Tert-butyl-3-(3-morpholin-4-ylpropyl)urea
CID 304916
N-(pentan-3-yl)morpholine-4-carboxamide
CID 787327
N-(1-methoxypropan-2-yl)morpholine-4-carboxamide
CID 2904482
N-(2-methylpropyl)morpholine-4-carboxamide
CID 3410823
(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-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide
CID 4313899
N-[(3S)-3-amino-4-fluorobutyl]morpholine-4-carboxamide
CID 68244754
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

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide (CID 164555235) is ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide is CC.CC(C)CNC(=O)N1CCOCC1C(F)(F)F.
What is the InChIKey of ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is YBBNWOFZURJRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2.C2H6/c1-7(2)5-14-9(16)15-3-4-17-6-8(15)10(11,12)13;1-2/h7-8H,3-6H2,1-2H3,(H,14,16);1-2H3.
What are the key properties of ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide?
ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 164555235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).