(4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate

C10H16F2N2O3 — CID 170606932

IUPAC(4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate
SMILESCN1CC(OC(=O)N2CCOCC2)C(F)(F)C1
InChIInChI=1S/C10H16F2N2O3/c1-13-6-8(10(11,12)7-13)17-9(15)14-2-4-16-5-3-14/h8H,2-7H2,1H3
InChIKeyKTCFMTYFOUABFN-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.40
Rot. Bonds1

About (4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate

(4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate (PubChem CID 170606932) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is (4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate
PubChem CID170606932
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name(4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate
SMILESCN1CC(OC(=O)N2CCOCC2)C(F)(F)C1
InChIInChI=1S/C10H16F2N2O3/c1-13-6-8(10(11,12)7-13)17-9(15)14-2-4-16-5-3-14/h8H,2-7H2,1H3
InChIKeyKTCFMTYFOUABFN-UHFFFAOYSA-N
XLogP0.40
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.40
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 (4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate?
The IUPAC name of (4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate (CID 170606932) is (4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate.
What is the SMILES notation for (4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate?
The canonical SMILES for (4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate is CN1CC(OC(=O)N2CCOCC2)C(F)(F)C1.
What is the InChIKey of (4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate?
The InChIKey is KTCFMTYFOUABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c1-13-6-8(10(11,12)7-13)17-9(15)14-2-4-16-5-3-14/h8H,2-7H2,1H3.
What are the key properties of (4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate?
(4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate has a molecular weight of 250.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-methylpyrrolidin-3-yl) morpholine-4-carboxylate is sourced from PubChem (CID 170606932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).