(4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one

C10H14Br2FNO3 — CID 71469717

IUPAC(4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(C(=O)C(F)(Br)Br)C(=O)OC1(C)C
InChIInChI=1S/C10H14Br2FNO3/c1-5(2)6-9(3,4)17-8(16)14(6)7(15)10(11,12)13/h5-6H,1-4H3/t6-/m0/s1
InChIKeyKXIPIORKCXTSIC-LURJTMIESA-N
MW375.03 g/mol
LogP3.18
Rot. Bonds2

About (4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 71469717) has the molecular formula C10H14Br2FNO3 and a molecular weight of 375.03 g/mol. Its IUPAC name is (4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID71469717
Molecular FormulaC10H14Br2FNO3
Molecular Weight375.03 g/mol
Exact Mass372.93
IUPAC Name(4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(C(=O)C(F)(Br)Br)C(=O)OC1(C)C
InChIInChI=1S/C10H14Br2FNO3/c1-5(2)6-9(3,4)17-8(16)14(6)7(15)10(11,12)13/h5-6H,1-4H3/t6-/m0/s1
InChIKeyKXIPIORKCXTSIC-LURJTMIESA-N
XLogP3.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.03
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15854120
(4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134968267
3-(2-Fluoropropanoyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101892799
3-(2-Fluoro-3-methylbutanoyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101892800
(4S)-3-(2,2-Dibromo-2-fluoroacetyl)-4-(1,1-dimethylethyl)-2-oxazolidinone
CID 178256234
(4S)-3-(2,2-Dibromo-2-fluoroacetyl)-4-(1-methylethyl)-2-oxazolidinone
CID 178256235
5,5-Dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 21604388
(4R)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10488778
(4S)-3-(2-bromoacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101022513

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 71469717) is (4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1N(C(=O)C(F)(Br)Br)C(=O)OC1(C)C.
What is the InChIKey of (4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KXIPIORKCXTSIC-LURJTMIESA-N. The full InChI is InChI=1S/C10H14Br2FNO3/c1-5(2)6-9(3,4)17-8(16)14(6)7(15)10(11,12)13/h5-6H,1-4H3/t6-/m0/s1.
What are the key properties of (4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 375.03 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2,2-dibromo-2-fluoroacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71469717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).