3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one

C11H18F2N2O2 — CID 167334980

IUPAC3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC(F)(F)[C@@H](N2CCOC2=O)C1
InChIInChI=1S/C11H18F2N2O2/c1-8(2)14-4-3-11(12,13)9(7-14)15-5-6-17-10(15)16/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyXHAFIQFEDLCNBU-VIFPVBQESA-N
MW248.27 g/mol
LogP1.56
Rot. Bonds2

About 3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one

3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 167334980) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID167334980
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC(F)(F)[C@@H](N2CCOC2=O)C1
InChIInChI=1S/C11H18F2N2O2/c1-8(2)14-4-3-11(12,13)9(7-14)15-5-6-17-10(15)16/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyXHAFIQFEDLCNBU-VIFPVBQESA-N
XLogP1.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-(4-Methylpiperazin-1-yl)ethyl 3,3-difluoropiperidine-1-carboxylate
CID 172435326
2,2,2-Trifluoroethyl 2-[(morpholin-4-yl)methyl]pyrrolidine-1-carboxylate
CID 54593150
tert-butyl (2R)-4,4-difluoro-2-[(4-methoxypiperidin-1-yl)methyl]pyrrolidine-1-carboxylate
CID 129538596
2-Pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate
CID 515568
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494009
(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 67158006
1,1-Difluoroethyl 3-(ethoxymethyl)-4-methylpiperazine-1-carboxylate
CID 118500410
2-fluoroethyl (3S)-3-(dimethylamino)piperidine-1-carboxylate
CID 129199270
3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one
CID 167334981
3-[(3R)-1-ethyl-4,4-difluoropiperidin-3-yl]-1,3-oxazolidin-2-one
CID 169578125
Butyl 3-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 175970553
3-[1-(2,2-Difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3669232

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one (CID 167334980) is 3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one is CC(C)N1CCC(F)(F)[C@@H](N2CCOC2=O)C1.
What is the InChIKey of 3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is XHAFIQFEDLCNBU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-8(2)14-4-3-11(12,13)9(7-14)15-5-6-17-10(15)16/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one?
3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 248.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167334980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).