(4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C10H14FNO3 — CID 135027485

IUPAC(4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC(F)C(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C10H14FNO3/c1-4-7(11)9(13)12-8(6(2)3)5-15-10(12)14/h4,6-8H,1,5H2,2-3H3/t7?,8-/m0/s1
InChIKeyYGWKIYOFHQKESE-MQWKRIRWSA-N
MW215.22 g/mol
LogP1.51
Rot. Bonds3

About (4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 135027485) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is (4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID135027485
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name(4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC(F)C(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C10H14FNO3/c1-4-7(11)9(13)12-8(6(2)3)5-15-10(12)14/h4,6-8H,1,5H2,2-3H3/t7?,8-/m0/s1
InChIKeyYGWKIYOFHQKESE-MQWKRIRWSA-N
XLogP1.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 135027485) is (4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is C=CC(F)C(=O)N1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of (4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YGWKIYOFHQKESE-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-4-7(11)9(13)12-8(6(2)3)5-15-10(12)14/h4,6-8H,1,5H2,2-3H3/t7?,8-/m0/s1.
What are the key properties of (4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 215.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135027485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).