tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H25ClFNO3 — CID 58606456

IUPACtert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CC/C=C(\F)CCl)COC1(C)C
InChIInChI=1S/C15H25ClFNO3/c1-14(2,3)21-13(19)18-12(10-20-15(18,4)5)8-6-7-11(17)9-16/h7,12H,6,8-10H2,1-5H3/b11-7-/t12-/m0/s1
InChIKeyYVPSFJDFQQGFBX-RDQDRAATSA-N
MW321.82 g/mol
LogP4.23
Rot. Bonds4

About tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 58606456) has the molecular formula C15H25ClFNO3 and a molecular weight of 321.82 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID58606456
Molecular FormulaC15H25ClFNO3
Molecular Weight321.82 g/mol
Exact Mass321.15
IUPAC Nametert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CC/C=C(\F)CCl)COC1(C)C
InChIInChI=1S/C15H25ClFNO3/c1-14(2,3)21-13(19)18-12(10-20-15(18,4)5)8-6-7-11(17)9-16/h7,12H,6,8-10H2,1-5H3/b11-7-/t12-/m0/s1
InChIKeyYVPSFJDFQQGFBX-RDQDRAATSA-N
XLogP4.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 58606456) is tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](CC/C=C(\F)CCl)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YVPSFJDFQQGFBX-RDQDRAATSA-N. The full InChI is InChI=1S/C15H25ClFNO3/c1-14(2,3)21-13(19)18-12(10-20-15(18,4)5)8-6-7-11(17)9-16/h7,12H,6,8-10H2,1-5H3/b11-7-/t12-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 321.82 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 58606456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).