(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one

C9H12F2N2O3 — CID 25054432

IUPAC(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](C(=O)N2CCC(F)(F)CC2)CO1
InChIInChI=1S/C9H12F2N2O3/c10-9(11)1-3-13(4-2-9)7(14)6-5-16-8(15)12-6/h6H,1-5H2,(H,12,15)/t6-/m0/s1
InChIKeyYTOGJNZPJZOEFJ-LURJTMIESA-N
MW234.20 g/mol
LogP0.35
Rot. Bonds1

About (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one

(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 25054432) has the molecular formula C9H12F2N2O3 and a molecular weight of 234.20 g/mol. Its IUPAC name is (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one
PubChem CID25054432
Molecular FormulaC9H12F2N2O3
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC Name(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](C(=O)N2CCC(F)(F)CC2)CO1
InChIInChI=1S/C9H12F2N2O3/c10-9(11)1-3-13(4-2-9)7(14)6-5-16-8(15)12-6/h6H,1-5H2,(H,12,15)/t6-/m0/s1
InChIKeyYTOGJNZPJZOEFJ-LURJTMIESA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 67158006
(4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone
CID 68719945
[(2S)-2-amino-3-oxo-3-piperidin-1-ylpropyl] 2,2,2-trifluoroacetate
CID 69908144
(4S)-4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 121265392
(4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 135291697
(4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 135291715
4-(4,4-Difluoropiperidine-1-carbonyl)-1,3-oxazolidine-2-carbaldehyde
CID 174604241
Tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone
CID 175263316
2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 3464346
Methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3766968
(4,4-Difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone
CID 77544062
3-[6-(Trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one
CID 82816929

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one (CID 25054432) is (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one is O=C1N[C@H](C(=O)N2CCC(F)(F)CC2)CO1.
What is the InChIKey of (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is YTOGJNZPJZOEFJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H12F2N2O3/c10-9(11)1-3-13(4-2-9)7(14)6-5-16-8(15)12-6/h6H,1-5H2,(H,12,15)/t6-/m0/s1.
What are the key properties of (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 234.20 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 25054432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).