(4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione

C10H7F2NO3 — CID 101415585

IUPAC(4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione
SMILESO=C1N[C@@H](c2ccc(F)c(F)c2)C(=O)CO1
InChIInChI=1S/C10H7F2NO3/c11-6-2-1-5(3-7(6)12)9-8(14)4-16-10(15)13-9/h1-3,9H,4H2,(H,13,15)/t9-/m0/s1
InChIKeyUIMVRFZYRBSJBH-VIFPVBQESA-N
MW227.17 g/mol
LogP1.31
Rot. Bonds1

About (4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione

(4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione (PubChem CID 101415585) has the molecular formula C10H7F2NO3 and a molecular weight of 227.17 g/mol. Its IUPAC name is (4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione
PubChem CID101415585
Molecular FormulaC10H7F2NO3
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name(4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione
SMILESO=C1N[C@@H](c2ccc(F)c(F)c2)C(=O)CO1
InChIInChI=1S/C10H7F2NO3/c11-6-2-1-5(3-7(6)12)9-8(14)4-16-10(15)13-9/h1-3,9H,4H2,(H,13,15)/t9-/m0/s1
InChIKeyUIMVRFZYRBSJBH-VIFPVBQESA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188446
4-(3,4-difluorophenyl)azetidin-2-one
CID 64665569
(5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 95999831
(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184050
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858
(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
CID 171183886
(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184055
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070
(4S)-4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131593675
(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
CID 95375871
(5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one
CID 67459920

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione?
The IUPAC name of (4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione (CID 101415585) is (4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione.
What is the SMILES notation for (4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione?
The canonical SMILES for (4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione is O=C1N[C@@H](c2ccc(F)c(F)c2)C(=O)CO1.
What is the InChIKey of (4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione?
The InChIKey is UIMVRFZYRBSJBH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H7F2NO3/c11-6-2-1-5(3-7(6)12)9-8(14)4-16-10(15)13-9/h1-3,9H,4H2,(H,13,15)/t9-/m0/s1.
What are the key properties of (4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione?
(4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione has a molecular weight of 227.17 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione is sourced from PubChem (CID 101415585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).