(4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine

C9H15BrFNO — CID 54226526

IUPAC(4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine
SMILESCN1[C@H](C=C(F)CBr)COC1(C)C
InChIInChI=1S/C9H15BrFNO/c1-9(2)12(3)8(6-13-9)4-7(11)5-10/h4,8H,5-6H2,1-3H3/t8-/m1/s1
InChIKeyQGGAOFUCPALIOQ-MRVPVSSYSA-N
MW252.13 g/mol
LogP2.30
Rot. Bonds2

About (4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine

(4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine (PubChem CID 54226526) has the molecular formula C9H15BrFNO and a molecular weight of 252.13 g/mol. Its IUPAC name is (4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine
PubChem CID54226526
Molecular FormulaC9H15BrFNO
Molecular Weight252.13 g/mol
Exact Mass251.03
IUPAC Name(4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine
SMILESCN1[C@H](C=C(F)CBr)COC1(C)C
InChIInChI=1S/C9H15BrFNO/c1-9(2)12(3)8(6-13-9)4-7(11)5-10/h4,8H,5-6H2,1-3H3/t8-/m1/s1
InChIKeyQGGAOFUCPALIOQ-MRVPVSSYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
The IUPAC name of (4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine (CID 54226526) is (4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine.
What is the SMILES notation for (4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
The canonical SMILES for (4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine is CN1[C@H](C=C(F)CBr)COC1(C)C.
What is the InChIKey of (4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
The InChIKey is QGGAOFUCPALIOQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15BrFNO/c1-9(2)12(3)8(6-13-9)4-7(11)5-10/h4,8H,5-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
(4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine has a molecular weight of 252.13 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 54226526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).