tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate

C12H22FNO4 — CID 134168093

IUPACtert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate
SMILESCC(F)OC[C@@H]1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22FNO4/c1-9(13)17-8-10-7-16-6-5-14(10)11(15)18-12(2,3)4/h9-10H,5-8H2,1-4H3/t9?,10-/m0/s1
InChIKeyCQLQXTJFFWGPAC-AXDSSHIGSA-N
MW263.31 g/mol
LogP1.95
Rot. Bonds3

About tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate

tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate (PubChem CID 134168093) has the molecular formula C12H22FNO4 and a molecular weight of 263.31 g/mol. Its IUPAC name is tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate
PubChem CID134168093
Molecular FormulaC12H22FNO4
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Nametert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate
SMILESCC(F)OC[C@@H]1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22FNO4/c1-9(13)17-8-10-7-16-6-5-14(10)11(15)18-12(2,3)4/h9-10H,5-8H2,1-4H3/t9?,10-/m0/s1
InChIKeyCQLQXTJFFWGPAC-AXDSSHIGSA-N
XLogP1.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537
tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate
CID 165438860
tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine
CID 159531809
tert-butyl 3-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855368
tert-butyl 3-[2-[(3-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855309
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 174175731

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate (CID 134168093) is tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate is CC(F)OC[C@@H]1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate?
The InChIKey is CQLQXTJFFWGPAC-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H22FNO4/c1-9(13)17-8-10-7-16-6-5-14(10)11(15)18-12(2,3)4/h9-10H,5-8H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate?
tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate has a molecular weight of 263.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 134168093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).