tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C17H26F3NO5 — CID 10786072

IUPACtert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)CC(F)(F)/C(F)=C/[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H26F3NO5/c1-7-24-13(22)9-17(19,20)12(18)8-11-10-25-16(5,6)21(11)14(23)26-15(2,3)4/h8,11H,7,9-10H2,1-6H3/b12-8-/t11-/m1/s1
InChIKeySYHIGZUBTGTVOB-HQQGHWSLSA-N
MW381.39 g/mol
LogP3.80
Rot. Bonds5

About tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10786072) has the molecular formula C17H26F3NO5 and a molecular weight of 381.39 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10786072
Molecular FormulaC17H26F3NO5
Molecular Weight381.39 g/mol
Exact Mass381.18
IUPAC Nametert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)CC(F)(F)/C(F)=C/[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H26F3NO5/c1-7-24-13(22)9-17(19,20)12(18)8-11-10-25-16(5,6)21(11)14(23)26-15(2,3)4/h8,11H,7,9-10H2,1-6H3/b12-8-/t11-/m1/s1
InChIKeySYHIGZUBTGTVOB-HQQGHWSLSA-N
XLogP3.80
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4S)-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91092625
tert-butyl 4-[(Z)-2-bromo-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 13008788
tert-butyl (4R)-4-[(Z)-3-bromo-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 638993
tert-butyl 2,2-dimethyl-4-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 72816401
tert-butyl (4S)-4-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91132840
tert-butyl 4-(4-ethoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 137333252
tert-butyl 4-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14660983
tert-butyl (4R)-4-[(Z)-hydroxyiminomethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100921699
tert-butyl (4S)-4-[(Z)-2-fluoroethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15319101
tert-butyl (4R)-4-(5-bromo-2-methylpent-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67918992
tert-butyl (4R)-4-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15344419
CID 58879223
CID 58879223

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10786072) is tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCOC(=O)CC(F)(F)/C(F)=C/[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is SYHIGZUBTGTVOB-HQQGHWSLSA-N. The full InChI is InChI=1S/C17H26F3NO5/c1-7-24-13(22)9-17(19,20)12(18)8-11-10-25-16(5,6)21(11)14(23)26-15(2,3)4/h8,11H,7,9-10H2,1-6H3/b12-8-/t11-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(Z)-5-ethoxy-2,3,3-trifluoro-5-oxopent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10786072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).