2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one

C14H25FINO6 — CID 163495739

IUPAC2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one
SMILESCC(C)I1COC(=O)N1C(O)[C@](C)(F)[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H25FINO6/c1-8(2)16-7-21-12(20)17(16)11(19)14(5,15)10(18)9-6-22-13(3,4)23-9/h8-11,18-19H,6-7H2,1-5H3/t9-,10-,11?,14-/m1/s1
InChIKeyCQNPBEHILFIXRA-ULZUWYFZSA-N
MW449.26 g/mol
LogP1.78
Rot. Bonds5

About 2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one

2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one (PubChem CID 163495739) has the molecular formula C14H25FINO6 and a molecular weight of 449.26 g/mol. Its IUPAC name is 2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one.

Molecular Properties

Compound Name2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one
PubChem CID163495739
Molecular FormulaC14H25FINO6
Molecular Weight449.26 g/mol
Exact Mass449.07
IUPAC Name2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one
SMILESCC(C)I1COC(=O)N1C(O)[C@](C)(F)[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H25FINO6/c1-8(2)16-7-21-12(20)17(16)11(19)14(5,15)10(18)9-6-22-13(3,4)23-9/h8-11,18-19H,6-7H2,1-5H3/t9-,10-,11?,14-/m1/s1
InChIKeyCQNPBEHILFIXRA-ULZUWYFZSA-N
XLogP1.78
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123225469
CID 164023142
CID 164023142

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one?
The IUPAC name of 2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one (CID 163495739) is 2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one.
What is the SMILES notation for 2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one?
The canonical SMILES for 2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one is CC(C)I1COC(=O)N1C(O)[C@](C)(F)[C@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of 2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one?
The InChIKey is CQNPBEHILFIXRA-ULZUWYFZSA-N. The full InChI is InChI=1S/C14H25FINO6/c1-8(2)16-7-21-12(20)17(16)11(19)14(5,15)10(18)9-6-22-13(3,4)23-9/h8-11,18-19H,6-7H2,1-5H3/t9-,10-,11?,14-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one?
2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one has a molecular weight of 449.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-1,3-dihydroxy-2-methylpropyl]-1-propan-2-yl-1λ3,4,2-iodoxazolidin-3-one is sourced from PubChem (CID 163495739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).