(6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one

C11H13FNO2P — CID 142000827

IUPAC(6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one
SMILESC[C@@H]1OCC(=O)NC1c1ccc(F)c(P)c1
InChIInChI=1S/C11H13FNO2P/c1-6-11(13-10(14)5-15-6)7-2-3-8(12)9(16)4-7/h2-4,6,11H,5,16H2,1H3,(H,13,14)/t6-,11?/m0/s1
InChIKeyBIIKMJIPWDIQTG-OCAOPBLFSA-N
MW241.20 g/mol
LogP0.90
Rot. Bonds1

About (6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one

(6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one (PubChem CID 142000827) has the molecular formula C11H13FNO2P and a molecular weight of 241.20 g/mol. Its IUPAC name is (6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one.

Molecular Properties

Compound Name(6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one
PubChem CID142000827
Molecular FormulaC11H13FNO2P
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name(6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one
SMILESC[C@@H]1OCC(=O)NC1c1ccc(F)c(P)c1
InChIInChI=1S/C11H13FNO2P/c1-6-11(13-10(14)5-15-6)7-2-3-8(12)9(16)4-7/h2-4,6,11H,5,16H2,1H3,(H,13,14)/t6-,11?/m0/s1
InChIKeyBIIKMJIPWDIQTG-OCAOPBLFSA-N
XLogP0.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one
CID 176969199
4-(3,4-difluorophenyl)azetidin-2-one
CID 64665569
4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 81156956
(2S,3R)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-5-oxomorpholine-2-carboxamide
CID 134711907
5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene
CID 144688158
(4S)-4-(3,4-difluorophenyl)-1,3-oxazinane-2,5-dione
CID 101415585
(4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one
CID 71231417
5-(2-methylmorpholin-3-yl)-1,3-dihydroindol-2-one
CID 82289606
4-(3-hydroxyphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 131010786
4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one
CID 81157204
2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 57162984
N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 138684907

Frequently Asked Questions

What is the IUPAC name of (6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one?
The IUPAC name of (6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one (CID 142000827) is (6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one.
What is the SMILES notation for (6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one?
The canonical SMILES for (6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one is C[C@@H]1OCC(=O)NC1c1ccc(F)c(P)c1.
What is the InChIKey of (6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one?
The InChIKey is BIIKMJIPWDIQTG-OCAOPBLFSA-N. The full InChI is InChI=1S/C11H13FNO2P/c1-6-11(13-10(14)5-15-6)7-2-3-8(12)9(16)4-7/h2-4,6,11H,5,16H2,1H3,(H,13,14)/t6-,11?/m0/s1.
What are the key properties of (6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one?
(6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one has a molecular weight of 241.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one is sourced from PubChem (CID 142000827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).