(1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane

C14H26F2N2O3 — CID 170606916

IUPAC(1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane
SMILESCCC.CCN1CC(OC(=O)N2CCOCC2)C(F)(F)C1
InChIInChI=1S/C11H18F2N2O3.C3H8/c1-2-14-7-9(11(12,13)8-14)18-10(16)15-3-5-17-6-4-15;1-3-2/h9H,2-8H2,1H3;3H2,1-2H3
InChIKeyMYXJDGWCSMXZKX-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.21
Rot. Bonds2

About (1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane

(1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane (PubChem CID 170606916) has the molecular formula C14H26F2N2O3 and a molecular weight of 308.37 g/mol. Its IUPAC name is (1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane.

Molecular Properties

Compound Name(1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane
PubChem CID170606916
Molecular FormulaC14H26F2N2O3
Molecular Weight308.37 g/mol
Exact Mass308.19
IUPAC Name(1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane
SMILESCCC.CCN1CC(OC(=O)N2CCOCC2)C(F)(F)C1
InChIInChI=1S/C11H18F2N2O3.C3H8/c1-2-14-7-9(11(12,13)8-14)18-10(16)15-3-5-17-6-4-15;1-3-2/h9H,2-8H2,1H3;3H2,1-2H3
InChIKeyMYXJDGWCSMXZKX-UHFFFAOYSA-N
XLogP2.21
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylate
CID 66803241
5-(2,2-Difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one
CID 67256965
Tert-butyl 2-(difluoromethyl)morpholine-4-carboxylate
CID 68848269
3-Trifluoromethoxy-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 75406341
tert-butyl (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylate
CID 86614896
tert-Butyl (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylate
CID 86710530
Tert-butyl 4-butoxy-3,3-difluoropyrrolidine-1-carboxylate
CID 90166826
3-Ethoxy-3-trifluoromethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 102551479
Tert-butyl 2-(trifluoromethyl)morpholine-4-carboxylate
CID 119106367
(R)-1-Boc-3-(difluoromethoxy)pyrrolidine
CID 122487530
tert-butyl (3S)-3-(difluoromethoxy)pyrrolidine-1-carboxylate
CID 122487535
Tert-butyl 3-(difluoromethoxy)pyrrolidine-1-carboxylate
CID 122487544

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane?
The IUPAC name of (1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane (CID 170606916) is (1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane.
What is the SMILES notation for (1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane?
The canonical SMILES for (1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane is CCC.CCN1CC(OC(=O)N2CCOCC2)C(F)(F)C1.
What is the InChIKey of (1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane?
The InChIKey is MYXJDGWCSMXZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3.C3H8/c1-2-14-7-9(11(12,13)8-14)18-10(16)15-3-5-17-6-4-15;1-3-2/h9H,2-8H2,1H3;3H2,1-2H3.
What are the key properties of (1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane?
(1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane has a molecular weight of 308.37 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4,4-difluoropyrrolidin-3-yl) morpholine-4-carboxylate;propane is sourced from PubChem (CID 170606916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).