tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate

C19H27ClFNO3 — CID 155765780

IUPACtert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](C(C)(C)F)OC[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H27ClFNO3/c1-18(2,3)25-17(23)22-11-16(19(4,5)21)24-12-15(22)10-13-6-8-14(20)9-7-13/h6-9,15-16H,10-12H2,1-5H3/t15-,16+/m0/s1
InChIKeyIYABPIWZIYSGOV-JKSUJKDBSA-N
MW371.88 g/mol
LogP4.64
Rot. Bonds3

About tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate

tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate (PubChem CID 155765780) has the molecular formula C19H27ClFNO3 and a molecular weight of 371.88 g/mol. Its IUPAC name is tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate
PubChem CID155765780
Molecular FormulaC19H27ClFNO3
Molecular Weight371.88 g/mol
Exact Mass371.17
IUPAC Nametert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](C(C)(C)F)OC[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H27ClFNO3/c1-18(2,3)25-17(23)22-11-16(19(4,5)21)24-12-15(22)10-13-6-8-14(20)9-7-13/h6-9,15-16H,10-12H2,1-5H3/t15-,16+/m0/s1
InChIKeyIYABPIWZIYSGOV-JKSUJKDBSA-N
XLogP4.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.88
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-acetyl-5-[(4-chlorophenyl)methyl]morpholine-4-carboxylate
CID 155576982
tert-butyl (2R,5S)-2-acetyl-5-[(4-chlorophenyl)methyl]morpholine-4-carboxylate
CID 155765993
tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-hydroxypentan-3-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate
CID 160778510
tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(propan-2-ylcarbamoyl)morpholine-4-carboxylate
CID 169321024
tert-butyl 5-[(4-chlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)morpholine-4-carboxylate
CID 155577150
tert-butyl 5-[(4-chlorophenyl)methyl]-2-(1,5-dimethylpyrazol-3-yl)morpholine-4-carboxylate;ethane
CID 155577146
magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide
CID 160980346
tert-butyl (2S,5S)-5-[(4-chlorophenyl)methyl]-2-[(2-oxopiperidin-1-yl)methyl]morpholine-4-carboxylate
CID 155765936
tert-butyl (2R,5R)-2-[(4-chlorophenyl)methyl]-5-methylsulfanylpiperidine-1-carboxylate
CID 169321166
tert-butyl (2S,5S)-5-[(4-chlorophenyl)methyl]-2-(cyanomethyl)morpholine-4-carboxylate;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(methylsulfonyloxymethyl)morpholine-4-carboxylate
CID 162111328
tert-butyl 2-[(4-chlorophenyl)methyl]-3-hydroxyazetidine-1-carboxylate
CID 126652464
tert-butyl (2R,5R)-2-[(4-chlorophenyl)methyl]-5-methylsulfonylpiperidine-1-carboxylate
CID 169321059

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate (CID 155765780) is tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1C[C@H](C(C)(C)F)OC[C@@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate?
The InChIKey is IYABPIWZIYSGOV-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H27ClFNO3/c1-18(2,3)25-17(23)22-11-16(19(4,5)21)24-12-15(22)10-13-6-8-14(20)9-7-13/h6-9,15-16H,10-12H2,1-5H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate?
tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate has a molecular weight of 371.88 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-fluoropropan-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 155765780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).