2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one

C11H10F11NO2 — CID 2827954

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one
SMILESO=C(N1CCCCC1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F11NO2/c12-7(9(15,16)17,6(24)23-4-2-1-3-5-23)25-11(21,22)8(13,14)10(18,19)20/h1-5H2
InChIKeyHWTUPPZVUGCCDA-UHFFFAOYSA-N
MW397.18 g/mol
LogP4.03
Rot. Bonds4

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one (PubChem CID 2827954) has the molecular formula C11H10F11NO2 and a molecular weight of 397.18 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one
PubChem CID2827954
Molecular FormulaC11H10F11NO2
Molecular Weight397.18 g/mol
Exact Mass397.05
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one
SMILESO=C(N1CCCCC1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F11NO2/c12-7(9(15,16)17,6(24)23-4-2-1-3-5-23)25-11(21,22)8(13,14)10(18,19)20/h1-5H2
InChIKeyHWTUPPZVUGCCDA-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-morpholinopropan-1-one
CID 2780521
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(piperidin-1-yl)propan-1-one
CID 2827955
2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)-1-(morpholin-4-yl)propan-1-one
CID 3457661
N,N-Diethyl-2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide
CID 71672900
4-(2,3,3,3-Tetrafluoro-2-methoxypropanoyl)morpholine
CID 2828738
1-Piperidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887316
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
2,3,3,3-Tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-trifluoromethoxyethoxy)-ethoxy]-ethoxy]-propan-1-one
CID 576665
3-(2,2-Difluoroethoxy)-1-(trifluoroacetyl)piperidin-4-one
CID 86648632
[2-(3-Fluoropiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 140890096
(2R)-2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one
CID 2245983
(2S)-2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one
CID 2245984

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one (CID 2827954) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one is O=C(N1CCCCC1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one?
The InChIKey is HWTUPPZVUGCCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F11NO2/c12-7(9(15,16)17,6(24)23-4-2-1-3-5-23)25-11(21,22)8(13,14)10(18,19)20/h1-5H2.
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one has a molecular weight of 397.18 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 2827954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).