(2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide

C10H19FN2O2 — CID 129348732

IUPAC(2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCO[C@H](CF)C1
InChIInChI=1S/C10H19FN2O2/c1-3-12(4-2)10(14)13-5-6-15-9(7-11)8-13/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyWKIQGUJZAXZIOY-SECBINFHSA-N
MW218.27 g/mol
LogP1.12
Rot. Bonds3

About (2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide

(2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide (PubChem CID 129348732) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide
PubChem CID129348732
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name(2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCO[C@H](CF)C1
InChIInChI=1S/C10H19FN2O2/c1-3-12(4-2)10(14)13-5-6-15-9(7-11)8-13/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyWKIQGUJZAXZIOY-SECBINFHSA-N
XLogP1.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-methoxyethyl)morpholine-4-carboxamide
CID 4254013
N-Butyl-N-ethyl-4-morpholinecarboxamide
CID 3765981
(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide
CID 126793875
N,2,6-trimethylmorpholine-4-carboxamide
CID 294176
N,N-diethylmorpholine-4-carboxamide
CID 669641
(2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 103931434
2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide
CID 108865827
N-propyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 113228352
2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 113463042
2-(aminomethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 113755160
2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 115575927
2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 115583927

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide (CID 129348732) is (2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide is CCN(CC)C(=O)N1CCO[C@H](CF)C1.
What is the InChIKey of (2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide?
The InChIKey is WKIQGUJZAXZIOY-SECBINFHSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-3-12(4-2)10(14)13-5-6-15-9(7-11)8-13/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide?
(2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide has a molecular weight of 218.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-(fluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 129348732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).