(4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride

C10H8BrClF3NO2 — CID 171187800

IUPAC(4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccc(F)c(Br)c2)C(F)(F)CO1
InChIInChI=1S/C10H7BrF3NO2.ClH/c11-6-3-5(1-2-7(6)12)8-10(13,14)4-17-9(16)15-8;/h1-3,8H,4H2,(H,15,16);1H/t8-;/m1./s1
InChIKeyKGVAFNYHIGZMKF-DDWIOCJRSA-N
MW346.53 g/mol
LogP3.43
Rot. Bonds1

About (4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride

(4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171187800) has the molecular formula C10H8BrClF3NO2 and a molecular weight of 346.53 g/mol. Its IUPAC name is (4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
PubChem CID171187800
Molecular FormulaC10H8BrClF3NO2
Molecular Weight346.53 g/mol
Exact Mass344.94
IUPAC Name(4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccc(F)c(Br)c2)C(F)(F)CO1
InChIInChI=1S/C10H7BrF3NO2.ClH/c11-6-3-5(1-2-7(6)12)8-10(13,14)4-17-9(16)15-8;/h1-3,8H,4H2,(H,15,16);1H/t8-;/m1./s1
InChIKeyKGVAFNYHIGZMKF-DDWIOCJRSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride (CID 171187800) is (4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@H](c2ccc(F)c(Br)c2)C(F)(F)CO1.
What is the InChIKey of (4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is KGVAFNYHIGZMKF-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H7BrF3NO2.ClH/c11-6-3-5(1-2-7(6)12)8-10(13,14)4-17-9(16)15-8;/h1-3,8H,4H2,(H,15,16);1H/t8-;/m1./s1.
What are the key properties of (4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 346.53 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171187800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).