N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide

C9H15F3N2O2 — CID 115590964

IUPACN-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H15F3N2O2/c1-13(3-2-9(10,11)12)8(15)14-4-6-16-7-5-14/h2-7H2,1H3
InChIKeyBAACEUMEGMFNNR-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.32
Rot. Bonds2

About N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide

N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide (PubChem CID 115590964) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
PubChem CID115590964
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H15F3N2O2/c1-13(3-2-9(10,11)12)8(15)14-4-6-16-7-5-14/h2-7H2,1H3
InChIKeyBAACEUMEGMFNNR-UHFFFAOYSA-N
XLogP1.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylmorpholine-4-carboxamide
CID 3411496
N-butyl-N-ethylmorpholine-4-carboxamide
CID 3765981
N-(trifluoromethyl)morpholine-4-carboxamide
CID 108865858
2-(Trifluoromethyl)morpholine-4-carboxamide
CID 127008665
(3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135163
(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135216
N,N-diethylmorpholine-4-carboxamide
CID 669641
(2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 103931434
N-(4,4,4-trifluorobutan-2-yl)morpholine-4-carboxamide
CID 104854737
1-[2-(2,2-Difluoroethoxy)ethyl]-1,3-diazinan-2-one
CID 105910406
N-(2,2,3,3-tetrafluoropropyl)morpholine-4-carboxamide
CID 106291106
(3R)-3-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 106774171

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide (CID 115590964) is N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide is CN(CCC(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
The InChIKey is BAACEUMEGMFNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-13(3-2-9(10,11)12)8(15)14-4-6-16-7-5-14/h2-7H2,1H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide is sourced from PubChem (CID 115590964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).