3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

C12H18F2N2O3 — CID 3669232

IUPAC3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C12H18F2N2O3/c1-12(2)7-19-11(18)16(12)8-3-5-15(6-4-8)10(17)9(13)14/h8-9H,3-7H2,1-2H3
InChIKeyPOXMJJMTUKPRAP-UHFFFAOYSA-N
MW276.28 g/mol
LogP1.47
Rot. Bonds2

About 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 3669232) has the molecular formula C12H18F2N2O3 and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID3669232
Molecular FormulaC12H18F2N2O3
Molecular Weight276.28 g/mol
Exact Mass276.13
IUPAC Name3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C12H18F2N2O3/c1-12(2)7-19-11(18)16(12)8-3-5-15(6-4-8)10(17)9(13)14/h8-9H,3-7H2,1-2H3
InChIKeyPOXMJJMTUKPRAP-UHFFFAOYSA-N
XLogP1.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoroethyl 2-[(morpholin-4-yl)methyl]pyrrolidine-1-carboxylate
CID 54593150
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-acetyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494008
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494009
4-[2-Methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 87801073
prop-2-ynyl N-tert-butyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate
CID 142760947
3-[(3S)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one
CID 167334980
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
Methyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3300387
4,4-Dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3463888
4-Methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3479772
N-[2-[4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 3669319

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 3669232) is 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1C1CCN(C(=O)C(F)F)CC1.
What is the InChIKey of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is POXMJJMTUKPRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O3/c1-12(2)7-19-11(18)16(12)8-3-5-15(6-4-8)10(17)9(13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 276.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3669232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).