(4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone

C11H18F2N2O2 — CID 68719945

IUPAC(4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone
SMILESCC1(C)N[C@H](C(=O)N2CCC(F)(F)CC2)CO1
InChIInChI=1S/C11H18F2N2O2/c1-10(2)14-8(7-17-10)9(16)15-5-3-11(12,13)4-6-15/h8,14H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyMDAHVGLIJUXOGI-QMMMGPOBSA-N
MW248.27 g/mol
LogP0.97
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone (PubChem CID 68719945) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone
PubChem CID68719945
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone
SMILESCC1(C)N[C@H](C(=O)N2CCC(F)(F)CC2)CO1
InChIInChI=1S/C11H18F2N2O2/c1-10(2)14-8(7-17-10)9(16)15-5-3-11(12,13)4-6-15/h8,14H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyMDAHVGLIJUXOGI-QMMMGPOBSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[[1-(2,2-difluoroethyl)piperidin-4-yl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 72131710
(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 25054432
4-(3-Amino-5,5,5-trifluoropentanoyl)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
CID 66660891
(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 68720729
[(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 91155497
[(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261821
(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
(3R)-4-[(3R)-3-amino-5,5,5-trifluoropentanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
CID 140574441
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

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone (CID 68719945) is (4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone is CC1(C)N[C@H](C(=O)N2CCC(F)(F)CC2)CO1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone?
The InChIKey is MDAHVGLIJUXOGI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-10(2)14-8(7-17-10)9(16)15-5-3-11(12,13)4-6-15/h8,14H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone has a molecular weight of 248.27 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone is sourced from PubChem (CID 68719945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).