(4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole

C10H8BrF2NO — CID 102448792

IUPAC(4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC(F)(Br)C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C10H8BrF2NO/c11-10(12,13)9-14-8(6-15-9)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1
InChIKeyRCHFMFZFZDEXNT-MRVPVSSYSA-N
MW276.08 g/mol
LogP3.14
Rot. Bonds2

About (4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 102448792) has the molecular formula C10H8BrF2NO and a molecular weight of 276.08 g/mol. Its IUPAC name is (4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID102448792
Molecular FormulaC10H8BrF2NO
Molecular Weight276.08 g/mol
Exact Mass274.98
IUPAC Name(4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC(F)(Br)C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C10H8BrF2NO/c11-10(12,13)9-14-8(6-15-9)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1
InChIKeyRCHFMFZFZDEXNT-MRVPVSSYSA-N
XLogP3.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 53.14
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 (4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 102448792) is (4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole is FC(F)(Br)C1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is RCHFMFZFZDEXNT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8BrF2NO/c11-10(12,13)9-14-8(6-15-9)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1.
What are the key properties of (4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 276.08 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[bromo(difluoro)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102448792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).