tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate

C10H18FNO3 — CID 121254775

IUPACtert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](CF)C1
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyPIXDCZBIKFLQHG-MRVPVSSYSA-N
MW219.26 g/mol
LogP1.59
Rot. Bonds1

About tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate

tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate (PubChem CID 121254775) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate
PubChem CID121254775
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Nametert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](CF)C1
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyPIXDCZBIKFLQHG-MRVPVSSYSA-N
XLogP1.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-tert-Butyl 2-(bromomethyl)morpholine-4-carboxylate
CID 69388802
Tert-butyl Morpholine-4-carboxylate
CID 11435389
tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-Butyl 2-(bromomethyl)morpholine-4-carboxylate
CID 57418765
Tert-butyl 2-(2-bromoethyl)morpholine-4-carboxylate
CID 57850090
Tert-butyl 3-methylmorpholine-4-carboxylate
CID 57960413
(R)-tert-Butyl 2-(bromomethyl)morpholine-4-carboxylate
CID 69389434
tert-Butyl 2-cyanomorpholine-4-carboxylate
CID 70700471
4-Morpholinecarboxylic acid, 6-(aminomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (6S)-
CID 71742818
Tert-butyl 6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 71742819
tert-butyl (6R)-6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 71742820
4-Morpholinecarboxylic acid,2-ethynyl-,1,1-dimethyl ethyl ester
CID 90317141

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate (CID 121254775) is tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@H](CF)C1.
What is the InChIKey of tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate?
The InChIKey is PIXDCZBIKFLQHG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate?
tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate has a molecular weight of 219.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(fluoromethyl)morpholine-4-carboxylate is sourced from PubChem (CID 121254775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).