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

C10H17F3N2O2 — CID 164555236

IUPACN-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC(C)CNC(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7(2)5-14-9(16)15-3-4-17-6-8(15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyWRZGSGCRABXEBO-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.62
Rot. Bonds2

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

N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 164555236) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID164555236
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC(C)CNC(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7(2)5-14-9(16)15-3-4-17-6-8(15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyWRZGSGCRABXEBO-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.62
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 N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide (CID 164555236) is N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide is CC(C)CNC(=O)N1CCOCC1C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is WRZGSGCRABXEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(2)5-14-9(16)15-3-4-17-6-8(15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide?
N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 164555236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).