(1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate

C11H16F3NO3 — CID 75452277

IUPAC(1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate
SMILESCN1CCOCC1C(=O)OC(C1CC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-15-4-5-17-6-8(15)10(16)18-9(7-2-3-7)11(12,13)14/h7-9H,2-6H2,1H3
InChIKeyMBYOWNQVEMJYRO-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.20
Rot. Bonds3

About (1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate

(1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate (PubChem CID 75452277) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is (1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate.

Molecular Properties

Compound Name(1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate
PubChem CID75452277
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name(1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate
SMILESCN1CCOCC1C(=O)OC(C1CC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-15-4-5-17-6-8(15)10(16)18-9(7-2-3-7)11(12,13)14/h7-9H,2-6H2,1H3
InChIKeyMBYOWNQVEMJYRO-UHFFFAOYSA-N
XLogP1.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
(3R)-4-methylmorpholine-3-carboxylic acid
CID 66864905
butoxycarbonyl 4-methylmorpholine-3-carboxylate
CID 174915013
3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774823
3-(difluoromethyl)-4-methylmorpholine
CID 137453756
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 3-methyl-1,3-oxazolidine-4-carboxylate
CID 10701946
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
4-methyl-3-nitrosomorpholine
CID 141260498
methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate
CID 114811644
4-(2-methoxyethyl)morpholine-3-carboxamide
CID 129061483
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate?
The IUPAC name of (1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate (CID 75452277) is (1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate.
What is the SMILES notation for (1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate?
The canonical SMILES for (1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate is CN1CCOCC1C(=O)OC(C1CC1)C(F)(F)F.
What is the InChIKey of (1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate?
The InChIKey is MBYOWNQVEMJYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-15-4-5-17-6-8(15)10(16)18-9(7-2-3-7)11(12,13)14/h7-9H,2-6H2,1H3.
What are the key properties of (1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate?
(1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate has a molecular weight of 267.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate is sourced from PubChem (CID 75452277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).